3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile

C22H22N4O — CID 171085522

IUPAC3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
SMILESCc1cc(C#N)cc(O)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1
InChIInChI=1S/C22H22N4O/c1-14-10-15(12-23)11-20(27)21(14)19-8-6-16-5-7-18(24-22(16)25-19)17-4-3-9-26(2)13-17/h5-8,10-11,17,27H,3-4,9,13H2,1-2H3
InChIKeyKWUGOFYCPCLXFB-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.99
Rot. Bonds2

About 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile

3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile (PubChem CID 171085522) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
PubChem CID171085522
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
SMILESCc1cc(C#N)cc(O)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1
InChIInChI=1S/C22H22N4O/c1-14-10-15(12-23)11-20(27)21(14)19-8-6-16-5-7-18(24-22(16)25-19)17-4-3-9-26(2)13-17/h5-8,10-11,17,27H,3-4,9,13H2,1-2H3
InChIKeyKWUGOFYCPCLXFB-UHFFFAOYSA-N
XLogP3.99
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085709
2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
CID 171085595
2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782
1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 171085652
formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747425
benzyl 4-[3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidin-1-yl]butanoate
CID 171085658
3,5-dimethyl-4-[4-methyl-8-(1-methylpiperidin-3-yl)-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]benzonitrile
CID 171826695
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
4-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperidin-3-yl)-1,2,4-triazol-1-yl]benzonitrile
CID 146042921

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile?
The IUPAC name of 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile (CID 171085522) is 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile?
The canonical SMILES for 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile is Cc1cc(C#N)cc(O)c1-c1ccc2ccc(C3CCCN(C)C3)nc2n1.
What is the InChIKey of 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile?
The InChIKey is KWUGOFYCPCLXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-10-15(12-23)11-20(27)21(14)19-8-6-16-5-7-18(24-22(16)25-19)17-4-3-9-26(2)13-17/h5-8,10-11,17,27H,3-4,9,13H2,1-2H3.
What are the key properties of 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile?
3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile is sourced from PubChem (CID 171085522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).