(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid

C17H19N3O4 — CID 119363027

IUPAC(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)C(=O)O
InChIInChI=1S/C17H19N3O4/c1-10(2)9-14(17(23)24)20-16(22)11-6-7-13(19-15(11)21)12-5-3-4-8-18-12/h3-8,10,14H,9H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyKXZMQKDWUOYMBT-CQSZACIVSA-N
MW329.36 g/mol
LogP1.67
Rot. Bonds6

About (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 119363027) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID119363027
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)C(=O)O
InChIInChI=1S/C17H19N3O4/c1-10(2)9-14(17(23)24)20-16(22)11-6-7-13(19-15(11)21)12-5-3-4-8-18-12/h3-8,10,14H,9H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14-/m1/s1
InChIKeyKXZMQKDWUOYMBT-CQSZACIVSA-N
XLogP1.67
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridine-2-carbonyl)amino]pentanoic acid
CID 123185620
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
N-[2-(methylamino)propyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120829946
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
(2R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364267
3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 129448586
(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
CID 119360770
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120944668
6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 138041587
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 119363027) is (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is KXZMQKDWUOYMBT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(2)9-14(17(23)24)20-16(22)11-6-7-13(19-15(11)21)12-5-3-4-8-18-12/h3-8,10,14H,9H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 329.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).