6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid

C13H18N2O3 — CID 106752452

IUPAC6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NCCCCCC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-10-9-11(6-8-14-10)13(18)15-7-4-2-3-5-12(16)17/h6,8-9H,2-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyIDYWQLKEKUMBOT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.76
Rot. Bonds7

About 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid

6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 106752452) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
PubChem CID106752452
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NCCCCCC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-10-9-11(6-8-14-10)13(18)15-7-4-2-3-5-12(16)17/h6,8-9H,2-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyIDYWQLKEKUMBOT-UHFFFAOYSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid (CID 106752452) is 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid is Cc1cc(C(=O)NCCCCCC(=O)O)ccn1.
What is the InChIKey of 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is IDYWQLKEKUMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-9-11(6-8-14-10)13(18)15-7-4-2-3-5-12(16)17/h6,8-9H,2-5,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid?
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 106752452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).