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

C17H19ClN6O — CID 172891175

IUPACN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)nn1C
InChIInChI=1S/C17H19ClN6O/c1-11-6-15(22-23(11)2)17(25)21-13-4-3-5-24(10-13)16-14(18)7-12(8-19)9-20-16/h6-7,9,13H,3-5,10H2,1-2H3,(H,21,25)
InChIKeyQHBCMIOMPBPYLK-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.05
Rot. Bonds3

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

N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172891175) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172891175
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)nn1C
InChIInChI=1S/C17H19ClN6O/c1-11-6-15(22-23(11)2)17(25)21-13-4-3-5-24(10-13)16-14(18)7-12(8-19)9-20-16/h6-7,9,13H,3-5,10H2,1-2H3,(H,21,25)
InChIKeyQHBCMIOMPBPYLK-UHFFFAOYSA-N
XLogP2.05
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172891175) is N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3ncc(C#N)cc3Cl)C2)nn1C.
What is the InChIKey of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QHBCMIOMPBPYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-11-6-15(22-23(11)2)17(25)21-13-4-3-5-24(10-13)16-14(18)7-12(8-19)9-20-16/h6-7,9,13H,3-5,10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.05, 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]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172891175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).