1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid

C14H18N2O3 — CID 64560694

IUPAC1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10-6-5-8-15-12(10)13(17)16-9-4-2-3-7-11(16)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyLZCVIDQCTRJBHM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid

1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid (PubChem CID 64560694) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
PubChem CID64560694
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10-6-5-8-15-12(10)13(17)16-9-4-2-3-7-11(16)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyLZCVIDQCTRJBHM-UHFFFAOYSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid (CID 64560694) is 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid is Cc1cccnc1C(=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid?
The InChIKey is LZCVIDQCTRJBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-6-5-8-15-12(10)13(17)16-9-4-2-3-7-11(16)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid?
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).