1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile

C15H15N5 — CID 116976251

IUPAC1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C15H15N5/c16-8-12-3-6-20(7-4-12)15-18-10-14(11-19-15)13-2-1-5-17-9-13/h1-2,5,9-12H,3-4,6-7H2
InChIKeyISNICELEUBEFHH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile

1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile (PubChem CID 116976251) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile
PubChem CID116976251
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C15H15N5/c16-8-12-3-6-20(7-4-12)15-18-10-14(11-19-15)13-2-1-5-17-9-13/h1-2,5,9-12H,3-4,6-7H2
InChIKeyISNICELEUBEFHH-UHFFFAOYSA-N
XLogP2.28
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-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

1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
CID 116976534
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
CID 116976141
(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417
2-pyridin-3-yl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
CID 47061206
1-(5-bromo-4-methylpyrimidin-2-yl)piperidine-4-carbonitrile
CID 90000857
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoyl]piperidine-4-carbonitrile
CID 110409898
1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile
CID 45275464
1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride
CID 67996042
4-[2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-5-yl]benzonitrile
CID 11348597

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile (CID 116976251) is 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile is N#CC1CCN(c2ncc(-c3cccnc3)cn2)CC1.
What is the InChIKey of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile?
The InChIKey is ISNICELEUBEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-8-12-3-6-20(7-4-12)15-18-10-14(11-19-15)13-2-1-5-17-9-13/h1-2,5,9-12H,3-4,6-7H2.
What are the key properties of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile?
1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 116976251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).