N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

C16H17ClN6O — CID 171993639

IUPACN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)n1
InChIInChI=1S/C16H17ClN6O/c1-22-6-4-14(21-22)16(24)20-12-3-2-5-23(10-12)15-13(17)7-11(8-18)9-19-15/h4,6-7,9,12H,2-3,5,10H2,1H3,(H,20,24)
InChIKeyCYZRFDGGVHKIIC-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993639) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993639
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)n1
InChIInChI=1S/C16H17ClN6O/c1-22-6-4-14(21-22)16(24)20-12-3-2-5-23(10-12)15-13(17)7-11(8-18)9-19-15/h4,6-7,9,12H,2-3,5,10H2,1H3,(H,20,24)
InChIKeyCYZRFDGGVHKIIC-UHFFFAOYSA-N
XLogP1.74
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171993639) is N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)n1.
What is the InChIKey of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CYZRFDGGVHKIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-22-6-4-14(21-22)16(24)20-12-3-2-5-23(10-12)15-13(17)7-11(8-18)9-19-15/h4,6-7,9,12H,2-3,5,10H2,1H3,(H,20,24).
What are the key properties of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).