2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide

C19H22N8O — CID 91967333

IUPAC2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc(-n2cccn2)n1
InChIInChI=1S/C19H22N8O/c1-14-23-16(12-17(24-14)27-11-5-7-22-27)18(28)21-13-15-6-8-20-19(25-15)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,28)
InChIKeyJOHSPDIOCMFTQP-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide

2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide (PubChem CID 91967333) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
PubChem CID91967333
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc(-n2cccn2)n1
InChIInChI=1S/C19H22N8O/c1-14-23-16(12-17(24-14)27-11-5-7-22-27)18(28)21-13-15-6-8-20-19(25-15)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,28)
InChIKeyJOHSPDIOCMFTQP-UHFFFAOYSA-N
XLogP1.68
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
CID 121137226
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 91967334
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide (CID 91967333) is 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is JOHSPDIOCMFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-14-23-16(12-17(24-14)27-11-5-7-22-27)18(28)21-13-15-6-8-20-19(25-15)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,21,28).
What are the key properties of 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91967333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).