5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile

C17H17N3O — CID 2769099

IUPAC5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C
InChIInChI=1S/C17H17N3O/c1-12-16(13(2)21)9-15(10-18)17(19-12)20(3)11-14-7-5-4-6-8-14/h4-9H,11H2,1-3H3
InChIKeyJBTWKOOVWKWJTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.10
Rot. Bonds4

About 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile

5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 2769099) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID2769099
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C
InChIInChI=1S/C17H17N3O/c1-12-16(13(2)21)9-15(10-18)17(19-12)20(3)11-14-7-5-4-6-8-14/h4-9H,11H2,1-3H3
InChIKeyJBTWKOOVWKWJTB-UHFFFAOYSA-N
XLogP3.10
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958
5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile
CID 1471733
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-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988460
7-Methyl-3-(4-methylbenzoyl)-1-[(3-methylphenyl)methyl]-1,4-dihydro-1,8-naphthyridin-4-one
CID 15988522
7,7-Dimethyl-5-oxo-2-(4-phenyl-piperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 24777318
7-Methyl-1,8-naphthyridin-4(1H)-one
CID 5373676

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile (CID 2769099) is 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C.
What is the InChIKey of 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is JBTWKOOVWKWJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-16(13(2)21)9-15(10-18)17(19-12)20(3)11-14-7-5-4-6-8-14/h4-9H,11H2,1-3H3.
What are the key properties of 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 2769099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).