4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide

C14H12ClFN2O — CID 81232937

IUPAC4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2cnc(C)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-3-10(16)6-11(4-8)18-14(19)12-7-17-9(2)5-13(12)15/h3-7H,1-2H3,(H,18,19)
InChIKeyVMXQCBKXFXIRIK-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81232937) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID81232937
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2cnc(C)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-3-10(16)6-11(4-8)18-14(19)12-7-17-9(2)5-13(12)15/h3-7H,1-2H3,(H,18,19)
InChIKeyVMXQCBKXFXIRIK-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
N-(3-fluoro-5-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245029
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide (CID 81232937) is 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide is Cc1cc(F)cc(NC(=O)c2cnc(C)cc2Cl)c1.
What is the InChIKey of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is VMXQCBKXFXIRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-3-10(16)6-11(4-8)18-14(19)12-7-17-9(2)5-13(12)15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81232937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).