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Chemical ID: 6369229

COc1ccc(cc1)CCNC(=O)c2cccc(n2)C(=O)NCCc3ccc(cc3)OC

Chemical ID:

6369229

Name [?]:

N,N'-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide

SMILES [?]:

COc1ccc(cc1)CCNC(=O)c2cccc(n2)C(=O)NCCc3ccc(cc3)OC

InChi [?]:

InChI=1/C25H27N3O4/c1-31-20-10-6-18(7-11-20)14-16-26-24(29)22-4-3-5-23(28-22)25(30)27-17-15-19-8-12-21(32-2)13-9-19/h3-13H,14-17H2,1-2H3,(H,26,29)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,32,16,15,17,5,7,26,30,4,8,27,29,9,24,10,23,6,25,3,28,14,18,12,20,11,22,19,13,21,2,31/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(29,30)(31,32)/gE:(1,2)/rA:32nCOCCCCCCCCNCOCCCCCNCONCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6989
Area:	729.97
Solvation:	-5.55035
Coulombic:	-67.5234

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	433.5
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.32
LogP (Chemaxon):	2.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value