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Chemical ID: 4627829

Chemical ID:

4627829

Name [?]:

N-(3-cyano-4,6-dimethyl-2-pyridyl)-N-phenyl-acetamide

SMILES [?]:

Cc1cc(nc(c1C#N)N(c2ccccc2)C(=O)C)C

InChi [?]:

InChI=1/C16H15N3O/c1-11-9-12(2)18-16(15(11)10-17)19(13(3)20)14-7-5-4-6-8-14/h4-9H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,19,14,13,15,12,16,3,8,2,4,17,11,7,6,9,5,10,18/E:(5,6)(7,8)/rA:20nCCCCNCCCNNCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅N₃O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7161
Area:	453.104
Solvation:	-2.6115
Coulombic:	-24.1214

Bond Count [?]

All:	21
Single:	13
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	265.31
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.93
LogP (Chemaxon):	2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value