4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide

C22H26FN3O2 — CID 129216320

IUPAC4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
SMILESCNC(=O)C(C)(C)[C@H](C)NC(=O)c1ccc(C2CC2)c(-c2ccc(F)nc2)c1
InChIInChI=1S/C22H26FN3O2/c1-13(22(2,3)21(28)24-4)26-20(27)15-7-9-17(14-5-6-14)18(11-15)16-8-10-19(23)25-12-16/h7-14H,5-6H2,1-4H3,(H,24,28)(H,26,27)/t13-/m0/s1
InChIKeyFTMLDNBNEIXPAT-ZDUSSCGKSA-N
MW383.47 g/mol
LogP3.66
Rot. Bonds6

About 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide

4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide (PubChem CID 129216320) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
PubChem CID129216320
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
SMILESCNC(=O)C(C)(C)[C@H](C)NC(=O)c1ccc(C2CC2)c(-c2ccc(F)nc2)c1
InChIInChI=1S/C22H26FN3O2/c1-13(22(2,3)21(28)24-4)26-20(27)15-7-9-17(14-5-6-14)18(11-15)16-8-10-19(23)25-12-16/h7-14H,5-6H2,1-4H3,(H,24,28)(H,26,27)/t13-/m0/s1
InChIKeyFTMLDNBNEIXPAT-ZDUSSCGKSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide 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

4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
CID 135350898
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
CID 135350899
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
6-(3-chlorophenyl)-N-[3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]pyridine-2-carboxamide
CID 71093538
methyl 3-(4-cyclopropyl-6-fluoro-3-pyridinyl)benzoate
CID 175305187
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
4-cyclopropyl-3-(3,3-difluoropyrrolidin-1-yl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]benzamide
CID 129238468
1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
CID 175932478
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide (CID 129216320) is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide is CNC(=O)C(C)(C)[C@H](C)NC(=O)c1ccc(C2CC2)c(-c2ccc(F)nc2)c1.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide?
The InChIKey is FTMLDNBNEIXPAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-13(22(2,3)21(28)24-4)26-20(27)15-7-9-17(14-5-6-14)18(11-15)16-8-10-19(23)25-12-16/h7-14H,5-6H2,1-4H3,(H,24,28)(H,26,27)/t13-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide?
4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 129216320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).