N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C16H22N6O — CID 171993320

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(N2CCCC(NC(=O)c3cnn(C)c3)C2)nc(C)n1
InChIInChI=1S/C16H22N6O/c1-11-7-15(19-12(2)18-11)22-6-4-5-14(10-22)20-16(23)13-8-17-21(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,20,23)
InChIKeyYHLYBVXBOHISOI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.23
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171993320) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171993320
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cc(N2CCCC(NC(=O)c3cnn(C)c3)C2)nc(C)n1
InChIInChI=1S/C16H22N6O/c1-11-7-15(19-12(2)18-11)22-6-4-5-14(10-22)20-16(23)13-8-17-21(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,20,23)
InChIKeyYHLYBVXBOHISOI-UHFFFAOYSA-N
XLogP1.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993653
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997524
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997837
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
[(3R)-1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl] 3-(1-methylpyrazol-4-yl)propanoate
CID 95174688

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171993320) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cc1cc(N2CCCC(NC(=O)c3cnn(C)c3)C2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YHLYBVXBOHISOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-7-15(19-12(2)18-11)22-6-4-5-14(10-22)20-16(23)13-8-17-21(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171993320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).