4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide

C13H11ClFN3O — CID 162658822

IUPAC4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-16-13(19)9-7-17-5-4-11(9)18-12-3-2-8(14)6-10(12)15/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyZYASDMKYJPREGC-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.98
Rot. Bonds3

About 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide

4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 162658822) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide
PubChem CID162658822
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-16-13(19)9-7-17-5-4-11(9)18-12-3-2-8(14)6-10(12)15/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyZYASDMKYJPREGC-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide (CID 162658822) is 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is ZYASDMKYJPREGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-16-13(19)9-7-17-5-4-11(9)18-12-3-2-8(14)6-10(12)15/h2-7H,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide?
4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162658822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).