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Chemical ID: 4628203

Chemical ID:

4628203

Name [?]:

4,6-dimethyl-2-(4-phenylphenyl)amino-pyridine-3-carbonitrile

SMILES [?]:

Cc1cc(nc(c1C#N)Nc2ccc(cc2)c3ccccc3)C

InChi [?]:

InChI=1/C20H17N3/c1-14-12-15(2)22-20(19(14)13-21)23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,23,20,19,21,18,22,13,15,12,16,3,8,2,4,17,14,11,7,6,9,5,10/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCNCCCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇N₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9862
Area:	519.558
Solvation:	-2.00279
Coulombic:	-22.3495

Bond Count [?]

All:	25
Single:	15
Double:	9
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	299.369
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.55
LogP (Chemaxon):	4.82

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