6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile

C20H17N3 — CID 164912200

IUPAC6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile
SMILESCc1cccc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C20H17N3/c1-14-7-6-10-18(11-14)23-20-17(13-21)12-19(15(2)22-20)16-8-4-3-5-9-16/h3-12H,1-2H3,(H,22,23)
InChIKeyIYRWXDDZDLULAR-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.98
Rot. Bonds3

About 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile

6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile (PubChem CID 164912200) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile
PubChem CID164912200
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile
SMILESCc1cccc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C20H17N3/c1-14-7-6-10-18(11-14)23-20-17(13-21)12-19(15(2)22-20)16-8-4-3-5-9-16/h3-12H,1-2H3,(H,22,23)
InChIKeyIYRWXDDZDLULAR-UHFFFAOYSA-N
XLogP4.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
NOS Inhibitor, 3h
CID 46892701

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile (CID 164912200) is 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile is Cc1cccc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile?
The InChIKey is IYRWXDDZDLULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-7-6-10-18(11-14)23-20-17(13-21)12-19(15(2)22-20)16-8-4-3-5-9-16/h3-12H,1-2H3,(H,22,23).
What are the key properties of 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile?
6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).