3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide

C18H19N5O2 — CID 136662623

IUPAC3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-12-9-16(24)22-18(20-12)23-7-5-15(6-8-23)21-17(25)14-4-2-3-13(10-14)11-19/h2-4,9-10,15H,5-8H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyGSAWIXPHVYKZKJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.35
Rot. Bonds3

About 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide

3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide (PubChem CID 136662623) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
PubChem CID136662623
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-12-9-16(24)22-18(20-12)23-7-5-15(6-8-23)21-17(25)14-4-2-3-13(10-14)11-19/h2-4,9-10,15H,5-8H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyGSAWIXPHVYKZKJ-UHFFFAOYSA-N
XLogP1.35
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 136666555
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
CID 136962362
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-3-[4-(2H-tetrazol-5-yl)anilino]benzamide
CID 167771011
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
CID 175065160

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide (CID 136662623) is 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)n1.
What is the InChIKey of 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide?
The InChIKey is GSAWIXPHVYKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-16(24)22-18(20-12)23-7-5-15(6-8-23)21-17(25)14-4-2-3-13(10-14)11-19/h2-4,9-10,15H,5-8H2,1H3,(H,21,25)(H,20,22,24).
What are the key properties of 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide?
3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 136662623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).