2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid

C13H17ClN2O3 — CID 114037129

IUPAC2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)c1cnc(C)cc1Cl)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-4-13(3,12(18)19)7-16-11(17)9-6-15-8(2)5-10(9)14/h5-6H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySRKUQIRLEOWNTM-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.27
Rot. Bonds5

About 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid

2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 114037129) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid
PubChem CID114037129
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)c1cnc(C)cc1Cl)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-4-13(3,12(18)19)7-16-11(17)9-6-15-8(2)5-10(9)14/h5-6H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySRKUQIRLEOWNTM-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid (CID 114037129) is 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)c1cnc(C)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is SRKUQIRLEOWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-13(3,12(18)19)7-16-11(17)9-6-15-8(2)5-10(9)14/h5-6H,4,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid?
2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 284.74 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 114037129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).