1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid

C13H17N3O3 — CID 64590146

IUPAC1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
SMILESNC(=O)c1cccc(N2CCCCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-5-4-7-11(15-9)16-8-3-1-2-6-10(16)13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,14,17)(H,18,19)
InChIKeyNJUDWKWNNHTGKI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.01
Rot. Bonds3

About 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid

1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid (PubChem CID 64590146) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
PubChem CID64590146
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
SMILESNC(=O)c1cccc(N2CCCCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-5-4-7-11(15-9)16-8-3-1-2-6-10(16)13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,14,17)(H,18,19)
InChIKeyNJUDWKWNNHTGKI-UHFFFAOYSA-N
XLogP1.01
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-carbamoyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742498
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098

Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid (CID 64590146) is 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid is NC(=O)c1cccc(N2CCCCCC2C(=O)O)n1.
What is the InChIKey of 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid?
The InChIKey is NJUDWKWNNHTGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)9-5-4-7-11(15-9)16-8-3-1-2-6-10(16)13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,14,17)(H,18,19).
What are the key properties of 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid?
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64590146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).