2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide

C18H22FN3O2 — CID 119811096

IUPAC2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H22FN3O2/c1-3-10-18(2,20)17(24)21-15-5-4-11-22(16(15)23)12-13-6-8-14(19)9-7-13/h4-9,11H,3,10,12,20H2,1-2H3,(H,21,24)
InChIKeyYNVLYLCWAWVCPT-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide

2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide (PubChem CID 119811096) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
PubChem CID119811096
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H22FN3O2/c1-3-10-18(2,20)17(24)21-15-5-4-11-22(16(15)23)12-13-6-8-14(19)9-7-13/h4-9,11H,3,10,12,20H2,1-2H3,(H,21,24)
InChIKeyYNVLYLCWAWVCPT-UHFFFAOYSA-N
XLogP2.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide 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-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 71921798
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
CID 119811051
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119811093
2-[(2-amino-2-methylpentanoyl)amino]-6-fluorobenzoic acid
CID 61158491
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102559471
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide (CID 119811096) is 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide?
The InChIKey is YNVLYLCWAWVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-10-18(2,20)17(24)21-15-5-4-11-22(16(15)23)12-13-6-8-14(19)9-7-13/h4-9,11H,3,10,12,20H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide?
2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide has a molecular weight of 331.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide is sourced from PubChem (CID 119811096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).