3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide

C12H19FN4O3S — CID 105386402

IUPAC3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1F
InChIInChI=1S/C12H19FN4O3S/c1-12(2,17-21(4,19)20)7-16-11(18)8-5-6-15-10(14-3)9(8)13/h5-6,17H,7H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyCDXJOOALDNNTQV-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.32
Rot. Bonds6

About 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide

3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105386402) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID105386402
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC Name3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1F
InChIInChI=1S/C12H19FN4O3S/c1-12(2,17-21(4,19)20)7-16-11(18)8-5-6-15-10(14-3)9(8)13/h5-6,17H,7H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyCDXJOOALDNNTQV-UHFFFAOYSA-N
XLogP0.32
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)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

3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
3-fluoro-2-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 105386960
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 105070214
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide (CID 105386402) is 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1F.
What is the InChIKey of 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is CDXJOOALDNNTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-12(2,17-21(4,19)20)7-16-11(18)8-5-6-15-10(14-3)9(8)13/h5-6,17H,7H2,1-4H3,(H,14,15)(H,16,18).
What are the key properties of 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide?
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).