5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid

C13H18N2O3 — CID 106752753

IUPAC5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h6-9H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCKGDVOVJOHDAKT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.76
Rot. Bonds6

About 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid

5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 106752753) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
PubChem CID106752753
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h6-9H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCKGDVOVJOHDAKT-UHFFFAOYSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid (CID 106752753) is 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid is Cc1cc(C(=O)NC(C)CCCC(=O)O)ccn1.
What is the InChIKey of 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is CKGDVOVJOHDAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(4-3-5-12(16)17)15-13(18)11-6-7-14-10(2)8-11/h6-9H,3-5H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 106752753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).