N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide

C17H12ClN5O — CID 71916486

IUPACN-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(-n2cccn2)ccn1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C17H12ClN5O/c1-22(16-9-13(18)4-3-12(16)11-19)17(24)15-10-14(5-7-20-15)23-8-2-6-21-23/h2-10H,1H3
InChIKeyUUMCVVQRGYIXEE-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.07
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide

N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 71916486) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID71916486
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(-n2cccn2)ccn1)c1cc(Cl)ccc1C#N
InChIInChI=1S/C17H12ClN5O/c1-22(16-9-13(18)4-3-12(16)11-19)17(24)15-10-14(5-7-20-15)23-8-2-6-21-23/h2-10H,1H3
InChIKeyUUMCVVQRGYIXEE-UHFFFAOYSA-N
XLogP3.07
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide (CID 71916486) is N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide is CN(C(=O)c1cc(-n2cccn2)ccn1)c1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is UUMCVVQRGYIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c1-22(16-9-13(18)4-3-12(16)11-19)17(24)15-10-14(5-7-20-15)23-8-2-6-21-23/h2-10H,1H3.
What are the key properties of N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 337.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).