5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

C12H15ClN2O3 — CID 114037156

IUPAC5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(4-5-10(16)17)7-15-12(18)9-3-2-6-14-11(9)13/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyXRNGFPOKLIWIFT-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.97
Rot. Bonds6

About 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114037156) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114037156
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(4-5-10(16)17)7-15-12(18)9-3-2-6-14-11(9)13/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyXRNGFPOKLIWIFT-UHFFFAOYSA-N
XLogP1.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 114037156) is 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is XRNGFPOKLIWIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(4-5-10(16)17)7-15-12(18)9-3-2-6-14-11(9)13/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114037156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).