N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

C19H24N8O — CID 154804958

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CCCCC2c2cnn(C)c2)n1
InChIInChI=1S/C19H24N8O/c1-13-10-14(2)23-18(22-13)27-17(7-8-20-27)24-19(28)26-9-5-4-6-16(26)15-11-21-25(3)12-15/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,24,28)
InChIKeyOPDAMPBZVQEFSJ-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 154804958) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID154804958
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N2CCCCC2c2cnn(C)c2)n1
InChIInChI=1S/C19H24N8O/c1-13-10-14(2)23-18(22-13)27-17(7-8-20-27)24-19(28)26-9-5-4-6-16(26)15-11-21-25(3)12-15/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,24,28)
InChIKeyOPDAMPBZVQEFSJ-UHFFFAOYSA-N
XLogP2.77
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992
ethyl 2-[3-[[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetate
CID 167922821
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(2R)-N-(3-methyl-4-nitrophenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99698166
(1S,5S)-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 167974359
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169177060
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
N-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167800995

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (CID 154804958) is N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is Cc1cc(C)nc(-n2nccc2NC(=O)N2CCCCC2c2cnn(C)c2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is OPDAMPBZVQEFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-13-10-14(2)23-18(22-13)27-17(7-8-20-27)24-19(28)26-9-5-4-6-16(26)15-11-21-25(3)12-15/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154804958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).