2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid

C14H18N2O3 — CID 63622054

IUPAC2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1CCCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-10-4-3-8-16(9-6-10)13(17)12-11(14(18)19)5-2-7-15-12/h2,5,7,10H,3-4,6,8-9H2,1H3,(H,18,19)
InChIKeyDMUASKAKMMBVBT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid

2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63622054) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID63622054
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1CCCN(C(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-10-4-3-8-16(9-6-10)13(17)12-11(14(18)19)5-2-7-15-12/h2,5,7,10H,3-4,6,8-9H2,1H3,(H,18,19)
InChIKeyDMUASKAKMMBVBT-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid (CID 63622054) is 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid is CC1CCCN(C(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is DMUASKAKMMBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-3-8-16(9-6-10)13(17)12-11(14(18)19)5-2-7-15-12/h2,5,7,10H,3-4,6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid?
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63622054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).