N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C14H18N6O — CID 42952887

IUPACN-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C14H18N6O/c1-19-9-5-12(18-19)17-13(21)11-4-2-8-20(10-11)14-15-6-3-7-16-14/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,17,18,21)
InChIKeyWDPXFHXUUNCLRB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.07
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 42952887) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID42952887
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C14H18N6O/c1-19-9-5-12(18-19)17-13(21)11-4-2-8-20(10-11)14-15-6-3-7-16-14/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,17,18,21)
InChIKeyWDPXFHXUUNCLRB-UHFFFAOYSA-N
XLogP1.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 42952887) is N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cn1ccc(NC(=O)C2CCCN(c3ncccn3)C2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is WDPXFHXUUNCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19-9-5-12(18-19)17-13(21)11-4-2-8-20(10-11)14-15-6-3-7-16-14/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,17,18,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42952887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).