N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C15H14FN3O2 — CID 9439521

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccncc1
InChIInChI=1S/C15H14FN3O2/c1-19(15(21)11-5-7-17-8-6-11)10-14(20)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyDTQRPSNPRWUCPE-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 9439521) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID9439521
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccncc1
InChIInChI=1S/C15H14FN3O2/c1-19(15(21)11-5-7-17-8-6-11)10-14(20)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyDTQRPSNPRWUCPE-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 9439521) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccncc1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is DTQRPSNPRWUCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-19(15(21)11-5-7-17-8-6-11)10-14(20)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 9439521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).