4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H12N2O2 — CID 168586115

IUPAC4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3cc(O)ccc3c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H12N2O2/c1-10-6-15(16(9-18)17(21)19-10)13-3-2-12-8-14(20)5-4-11(12)7-13/h2-8,20H,1H3,(H,19,21)
InChIKeyGXRNCNBDDVVZEW-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.08
Rot. Bonds1

About 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586115) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586115
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3cc(O)ccc3c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H12N2O2/c1-10-6-15(16(9-18)17(21)19-10)13-3-2-12-8-14(20)5-4-11(12)7-13/h2-8,20H,1H3,(H,19,21)
InChIKeyGXRNCNBDDVVZEW-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile
CID 168585262
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587298
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-iodobenzoic acid
CID 168585426
[5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl]boronic acid
CID 168584762
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586115) is 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc3cc(O)ccc3c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is GXRNCNBDDVVZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-10-6-15(16(9-18)17(21)19-10)13-3-2-12-8-14(20)5-4-11(12)7-13/h2-8,20H,1H3,(H,19,21).
What are the key properties of 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).