N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

C16H19N7O — CID 175649067

IUPACN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C16H19N7O/c1-21-10-12(9-19-21)15(24)22(2)14-4-3-7-23(11-14)16-18-6-5-13(8-17)20-16/h5-6,9-10,14H,3-4,7,11H2,1-2H3
InChIKeyVDOSYPQLJHBVMR-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.82
Rot. Bonds3

About N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175649067) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175649067
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C16H19N7O/c1-21-10-12(9-19-21)15(24)22(2)14-4-3-7-23(11-14)16-18-6-5-13(8-17)20-16/h5-6,9-10,14H,3-4,7,11H2,1-2H3
InChIKeyVDOSYPQLJHBVMR-UHFFFAOYSA-N
XLogP0.82
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
N,1-dimethyl-N-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 175650638
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175650104
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175651238
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354148
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650748

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175649067) is N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCCN(c2nccc(C#N)n2)C1.
What is the InChIKey of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is VDOSYPQLJHBVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-10-12(9-19-21)15(24)22(2)14-4-3-7-23(11-14)16-18-6-5-13(8-17)20-16/h5-6,9-10,14H,3-4,7,11H2,1-2H3.
What are the key properties of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175649067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).