N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide

C16H13ClN4O — CID 87007071

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)n1
InChIInChI=1S/C16H13ClN4O/c1-11-5-2-8-14(19-11)16(22)20-13-7-3-6-12(17)15(13)21-10-4-9-18-21/h2-10H,1H3,(H,20,22)
InChIKeyVWXFOJFVRFPYRJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.48
Rot. Bonds3

About N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide (PubChem CID 87007071) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
PubChem CID87007071
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)n1
InChIInChI=1S/C16H13ClN4O/c1-11-5-2-8-14(19-11)16(22)20-13-7-3-6-12(17)15(13)21-10-4-9-18-21/h2-10H,1H3,(H,20,22)
InChIKeyVWXFOJFVRFPYRJ-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 87007049
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
5-bromo-N-(3-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793461
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide (CID 87007071) is N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)n1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is VWXFOJFVRFPYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-5-2-8-14(19-11)16(22)20-13-7-3-6-12(17)15(13)21-10-4-9-18-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 87007071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).