5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile

C16H15N3O — CID 657615

IUPAC5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile
SMILESCNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C16H15N3O/c1-10-13(9-17)15(12-7-5-4-6-8-12)14(11(2)20)16(18-3)19-10/h4-8H,1-3H3,(H,18,19)
InChIKeyOJWPPALFXNULHP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.17
Rot. Bonds3

About 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile

5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile (PubChem CID 657615) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile
PubChem CID657615
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile
SMILESCNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C16H15N3O/c1-10-13(9-17)15(12-7-5-4-6-8-12)14(11(2)20)16(18-3)19-10/h4-8H,1-3H3,(H,18,19)
InChIKeyOJWPPALFXNULHP-UHFFFAOYSA-N
XLogP3.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
2-Cyclopentylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 24777314
7-Methyl-1,8-naphthyridin-4(1H)-one
CID 5373676
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile (CID 657615) is 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile is CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O.
What is the InChIKey of 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile?
The InChIKey is OJWPPALFXNULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-13(9-17)15(12-7-5-4-6-8-12)14(11(2)20)16(18-3)19-10/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile?
5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 657615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).