3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

C12H18FN3OS — CID 105387455

IUPAC3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCSC)c1F
InChIInChI=1S/C12H18FN3OS/c1-14-11-10(13)9(5-7-15-11)12(17)16-6-3-4-8-18-2/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQVRXNSDSJMHMQK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.14
Rot. Bonds7

About 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (PubChem CID 105387455) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
PubChem CID105387455
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC Name3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCSC)c1F
InChIInChI=1S/C12H18FN3OS/c1-14-11-10(13)9(5-7-15-11)12(17)16-6-3-4-8-18-2/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQVRXNSDSJMHMQK-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)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

N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
3-fluoro-2-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105387292

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (CID 105387455) is 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCCCSC)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The InChIKey is QVRXNSDSJMHMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-14-11-10(13)9(5-7-15-11)12(17)16-6-3-4-8-18-2/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105387455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).