N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

C16H22N6O — CID 172891341

IUPACN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1ncnc(N2CCCC(NC(=O)c3ccnn3C)C2)c1C
InChIInChI=1S/C16H22N6O/c1-11-12(2)17-10-18-15(11)22-8-4-5-13(9-22)20-16(23)14-6-7-19-21(14)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyLAVYYCCTIKPLNQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.23
Rot. Bonds3

About N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172891341) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172891341
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1ncnc(N2CCCC(NC(=O)c3ccnn3C)C2)c1C
InChIInChI=1S/C16H22N6O/c1-11-12(2)17-10-18-15(11)22-8-4-5-13(9-22)20-16(23)14-6-7-19-21(14)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyLAVYYCCTIKPLNQ-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

2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892155
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172892260
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903205
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172892664
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 172891341) is N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is Cc1ncnc(N2CCCC(NC(=O)c3ccnn3C)C2)c1C.
What is the InChIKey of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is LAVYYCCTIKPLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-12(2)17-10-18-15(11)22-8-4-5-13(9-22)20-16(23)14-6-7-19-21(14)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-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-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172891341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).