N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide

C13H18FN3O — CID 107172496

IUPACN-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCCNCC1
InChIInChI=1S/C13H18FN3O/c1-17(11-3-2-7-15-8-6-11)13(18)12-5-4-10(14)9-16-12/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyZYHBUNNLFLIVNA-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds2

About N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide

N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 107172496) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID107172496
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCCNCC1
InChIInChI=1S/C13H18FN3O/c1-17(11-3-2-7-15-8-6-11)13(18)12-5-4-10(14)9-16-12/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyZYHBUNNLFLIVNA-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(azepan-4-yl)-5-fluoro-N-methylpyridine-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

5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
N,5-dimethyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602095
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide (CID 107172496) is N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(F)cn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is ZYHBUNNLFLIVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-17(11-3-2-7-15-8-6-11)13(18)12-5-4-10(14)9-16-12/h4-5,9,11,15H,2-3,6-8H2,1H3.
What are the key properties of N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide?
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107172496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).