2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile

C19H14ClN3O — CID 21004408

IUPAC2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)cc2C#N)cc1Cl
InChIInChI=1S/C19H14ClN3O/c1-24-18-8-7-16(10-17(18)20)23-19-14(11-21)9-15(12-22-19)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,22,23)
InChIKeyIUIUDKLESPFYJN-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.03
Rot. Bonds4

About 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile

2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile (PubChem CID 21004408) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
PubChem CID21004408
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ncc(-c3ccccc3)cc2C#N)cc1Cl
InChIInChI=1S/C19H14ClN3O/c1-24-18-8-7-16(10-17(18)20)23-19-14(11-21)9-15(12-22-19)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,22,23)
InChIKeyIUIUDKLESPFYJN-UHFFFAOYSA-N
XLogP5.03
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
CID 21001889
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919
2-(1,3-benzodioxol-5-ylamino)-5-phenylpyridine-3-carbonitrile
CID 21001885
2-(3-chloro-4-methoxyanilino)-7-methoxyquinoline-3-carbonitrile
CID 5164967
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004427
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile (CID 21004408) is 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile is COc1ccc(Nc2ncc(-c3ccccc3)cc2C#N)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile?
The InChIKey is IUIUDKLESPFYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-24-18-8-7-16(10-17(18)20)23-19-14(11-21)9-15(12-22-19)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,22,23).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile?
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile has a molecular weight of 335.79 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 21004408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).