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Chemical ID: 3887999

Chemical ID:

3887999

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)N(Cc2ccc(cc2)N)C(=O)c3cccnc3

InChi [?]:

InChI=1/C20H19N3O/c1-15-4-10-19(11-5-15)23(14-16-6-8-18(21)9-7-16)20(24)17-3-2-12-22-13-17/h2-13H,14,21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,20,3,7,11,15,12,14,4,6,22,24,9,2,10,19,13,5,17,16,23,8,18/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCNCCCCCCCNCOCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1588
Area:	506.314
Solvation:	-2.49907
Coulombic:	-40.0256

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	317.384
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.21
LogP (Chemaxon):	3.02

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