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Chemical ID: 3911435

CCC(=O)Nc1ccc(cc1)CN(c2ccc(cc2)C)C(=O)c3cccnc3

Chemical ID:

3911435

Name [?]:

N-[(4-propanoylaminophenyl)methyl]-N-(p-tolyl)pyridine-3-carboxamide

SMILES [?]:

CCC(=O)Nc1ccc(cc1)CN(c2ccc(cc2)C)C(=O)c3cccnc3

InChi [?]:

InChI=1/C23H23N3O2/c1-3-22(27)25-20-10-8-18(9-11-20)16-26(21-12-6-17(2)7-13-21)23(28)19-5-4-14-24-15-19/h4-15H,3,16H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,20,2,25,24,16,18,8,10,7,11,15,19,26,28,12,17,9,23,6,14,3,21,27,5,13,4,22/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCONCCCCCCCNCCCCCCCCOCCCCNC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s17;s13;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9454
Area:	595.495
Solvation:	-3.94197
Coulombic:	-41.956

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	373.448
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.54
LogP (Chemaxon):	3.76

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