(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid

C16H24N2O4 — CID 126434441

IUPAC(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESCCCC[C@H](CC(=O)O)NC(=O)c1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C16H24N2O4/c1-4-5-6-11(9-14(19)20)17-15(21)12-7-8-13(10(2)3)18-16(12)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyVUQUEBWETVXSSI-LLVKDONJSA-N
MW308.38 g/mol
LogP2.26
Rot. Bonds8

About (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid

(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid (PubChem CID 126434441) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
PubChem CID126434441
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
SMILESCCCC[C@H](CC(=O)O)NC(=O)c1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C16H24N2O4/c1-4-5-6-11(9-14(19)20)17-15(21)12-7-8-13(10(2)3)18-16(12)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyVUQUEBWETVXSSI-LLVKDONJSA-N
XLogP2.26
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid with MolForge

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Related Compounds

N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
CID 125163140
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
CID 126425811
6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158741537
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74235089
N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74234352
N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 138026433
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid (CID 126434441) is (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid is CCCC[C@H](CC(=O)O)NC(=O)c1ccc(C(C)C)[nH]c1=O.
What is the InChIKey of (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid?
The InChIKey is VUQUEBWETVXSSI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-5-6-11(9-14(19)20)17-15(21)12-7-8-13(10(2)3)18-16(12)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid?
(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid has a molecular weight of 308.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 126434441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).