N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide

C13H11ClFN3O — CID 104667498

IUPACN-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H11ClFN3O/c1-7-4-10(16)9(14)5-12(7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19)
InChIKeyIIAYBQDXOZRTCB-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 104667498) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
PubChem CID104667498
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H11ClFN3O/c1-7-4-10(16)9(14)5-12(7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19)
InChIKeyIIAYBQDXOZRTCB-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
CID 104638032
N-[2-chloro-5-(methylsulfonylmethyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 75503116

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide (CID 104667498) is N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is IIAYBQDXOZRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-4-10(16)9(14)5-12(7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104667498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).