N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

C19H15ClFN3O — CID 109244302

IUPACN-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H15ClFN3O/c1-12-8-14(20)2-7-18(12)24-19(25)13-9-17(11-22-10-13)23-16-5-3-15(21)4-6-16/h2-11,23H,1H3,(H,24,25)
InChIKeyHXLKYNIHMYNLRU-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109244302) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109244302
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H15ClFN3O/c1-12-8-14(20)2-7-18(12)24-19(25)13-9-17(11-22-10-13)23-16-5-3-15(21)4-6-16/h2-11,23H,1H3,(H,24,25)
InChIKeyHXLKYNIHMYNLRU-UHFFFAOYSA-N
XLogP5.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (CID 109244302) is N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is HXLKYNIHMYNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-8-14(20)2-7-18(12)24-19(25)13-9-17(11-22-10-13)23-16-5-3-15(21)4-6-16/h2-11,23H,1H3,(H,24,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).