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Chemical ID: 3896302

Chemical ID:

3896302

Name [?]:

N-phenethyl-2-phenethylamino-pyridine-3-carboxamide

SMILES [?]:

c1ccc(cc1)CCNc2c(cccn2)C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C22H23N3O/c26-22(25-17-14-19-10-5-2-6-11-19)20-12-7-15-23-21(20)24-16-13-18-8-3-1-4-9-18/h1-12,15H,13-14,16-17H2,(H,23,24)(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,24,2,6,23,25,13,3,5,22,26,12,7,20,14,8,19,4,21,11,10,16,15,9,18,17/E:(3,4)(5,6)(8,9)(10,11)/rA:26nCCCCCCCCNCCCCCNCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s11;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2869
Area:	607.106
Solvation:	-2.89075
Coulombic:	-42.2009

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.438
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.71
LogP (Chemaxon):	4.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value