2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide

C10H14FN3O3S — CID 105385347

IUPAC2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C10H14FN3O3S/c1-18(16,17)6-2-4-14-10(15)7-3-5-13-9(12)8(7)11/h3,5H,2,4,6H2,1H3,(H2,12,13)(H,14,15)
InChIKeyOTWXHPWMEONWKF-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide (PubChem CID 105385347) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
PubChem CID105385347
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C10H14FN3O3S/c1-18(16,17)6-2-4-14-10(15)7-3-5-13-9(12)8(7)11/h3,5H,2,4,6H2,1H3,(H2,12,13)(H,14,15)
InChIKeyOTWXHPWMEONWKF-UHFFFAOYSA-N
XLogP-0.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-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

Related Compounds

2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
CID 106241159
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 105386232
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide (CID 105385347) is 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide is CS(=O)(=O)CCCNC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide?
The InChIKey is OTWXHPWMEONWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-18(16,17)6-2-4-14-10(15)7-3-5-13-9(12)8(7)11/h3,5H,2,4,6H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide has a molecular weight of 275.30 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105385347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).