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Chemical ID: 6374478

CCC(C)c1ccc(cc1)NC(=O)c2cccc(n2)C(=O)Nc3ccc(cc3)C(C)CC

Chemical ID:

6374478

Name [?]:

N,N'-bis(4-sec-butylphenyl)pyridine-2,6-dicarboxamide

SMILES [?]:

CCC(C)c1ccc(cc1)NC(=O)c2cccc(n2)C(=O)Nc3ccc(cc3)C(C)CC

InChi [?]:

InChI=1/C27H31N3O2/c1-5-18(3)20-10-14-22(15-11-20)28-26(31)24-8-7-9-25(30-24)27(32)29-23-16-12-21(13-17-23)19(4)6-2/h7-19H,5-6H2,1-4H3,(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,32,4,30,2,31,16,15,17,6,10,25,27,7,9,24,28,3,29,5,26,8,23,14,18,12,20,11,22,19,13,21/E:(1,2)(3,4)(5,6)(8,9)(10,11,12,13)(14,15,16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(31,32)/gE:(1,2)/rA:32cCCCCCCCCCCNCOCCCCCNCONCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₁N₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	15.3855
Area:	715.237
Solvation:	-2.49546
Coulombic:	-54.1787

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	429.554
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	6.84
LogP (Chemaxon):	6.83

Name Annotations

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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