4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid

C13H18N2O4 — CID 120534735

IUPAC4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCOc1nc(C)ccc1C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(5-7-11(16)17)14-12(18)10-6-4-9(2)15-13(10)19-3/h4,6,8H,5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMHQKFPSOSOMYTH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.38
Rot. Bonds6

About 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid

4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 120534735) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID120534735
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCOc1nc(C)ccc1C(=O)NC(C)CCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(5-7-11(16)17)14-12(18)10-6-4-9(2)15-13(10)19-3/h4,6,8H,5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMHQKFPSOSOMYTH-UHFFFAOYSA-N
XLogP1.38
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
CID 120523997
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
2-methoxy-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 153406730
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid (CID 120534735) is 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid is COc1nc(C)ccc1C(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is MHQKFPSOSOMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(5-7-11(16)17)14-12(18)10-6-4-9(2)15-13(10)19-3/h4,6,8H,5,7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid?
4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).