2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile

C21H24N4O — CID 21404523

IUPAC2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCC(N4CCCC4)CC3)cc2)[nH]c1=O
InChIInChI=1S/C21H24N4O/c22-15-17-5-8-20(23-21(17)26)16-3-6-18(7-4-16)25-13-9-19(10-14-25)24-11-1-2-12-24/h3-8,19H,1-2,9-14H2,(H,23,26)
InChIKeyOHMILKXCVOKEME-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.98
Rot. Bonds3

About 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile

2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 21404523) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID21404523
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCC(N4CCCC4)CC3)cc2)[nH]c1=O
InChIInChI=1S/C21H24N4O/c22-15-17-5-8-20(23-21(17)26)16-3-6-18(7-4-16)25-13-9-19(10-14-25)24-11-1-2-12-24/h3-8,19H,1-2,9-14H2,(H,23,26)
InChIKeyOHMILKXCVOKEME-UHFFFAOYSA-N
XLogP2.98
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-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

2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 79018586
3-(chloromethyl)-6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-1H-pyridin-2-one;hydrochloride
CID 21404577
6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 21404596
4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 112694656
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
2-methoxy-4-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-5-yl]benzonitrile
CID 155008944
4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 140608262
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
5-fluoro-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 63668522
2-nitro-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 115501200
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile (CID 21404523) is 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(N3CCC(N4CCCC4)CC3)cc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is OHMILKXCVOKEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-15-17-5-8-20(23-21(17)26)16-3-6-18(7-4-16)25-13-9-19(10-14-25)24-11-1-2-12-24/h3-8,19H,1-2,9-14H2,(H,23,26).
What are the key properties of 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile?
2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 348.45 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 21404523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).