4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

C17H14ClFN4O — CID 24820921

IUPAC4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccc(F)c(Cl)c2)cc(C(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C17H14ClFN4O/c1-10-7-12(11-3-4-14(19)13(18)8-11)9-15(20-10)17(24)21-16-5-6-23(2)22-16/h3-9H,1-2H3,(H,21,22,24)
InChIKeyVUXQYVMUVFTVOG-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.84
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 24820921) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID24820921
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccc(F)c(Cl)c2)cc(C(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C17H14ClFN4O/c1-10-7-12(11-3-4-14(19)13(18)8-11)9-15(20-10)17(24)21-16-5-6-23(2)22-16/h3-9H,1-2H3,(H,21,22,24)
InChIKeyVUXQYVMUVFTVOG-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (CID 24820921) is 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is Cc1cc(-c2ccc(F)c(Cl)c2)cc(C(=O)Nc2ccn(C)n2)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is VUXQYVMUVFTVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10-7-12(11-3-4-14(19)13(18)8-11)9-15(20-10)17(24)21-16-5-6-23(2)22-16/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 24820921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).