N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide

C14H22FN3O — CID 105385225

IUPACN-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)C(C)C(C)(C)C)c1F
InChIInChI=1S/C14H22FN3O/c1-9(14(2,3)4)18(6)13(19)10-7-8-17-12(16-5)11(10)15/h7-9H,1-6H3,(H,16,17)
InChIKeyHEEYDXKCRBYYAE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.77
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385225) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385225
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)C(C)C(C)(C)C)c1F
InChIInChI=1S/C14H22FN3O/c1-9(14(2,3)4)18(6)13(19)10-7-8-17-12(16-5)11(10)15/h7-9H,1-6H3,(H,16,17)
InChIKeyHEEYDXKCRBYYAE-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-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

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62180109
3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105385402
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105420387
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
3-fluoro-N-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 105387115
3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 105385242
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 105385225) is N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)N(C)C(C)C(C)(C)C)c1F.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is HEEYDXKCRBYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9(14(2,3)4)18(6)13(19)10-7-8-17-12(16-5)11(10)15/h7-9H,1-6H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).