5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid

C15H21N3O3 — CID 104690906

IUPAC5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCCN1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-2-12-6-4-3-5-9-18(12)15(21)17-11-7-8-13(14(19)20)16-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyLANQELHIRIGYQZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.97
Rot. Bonds3

About 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid

5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104690906) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104690906
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCCN1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-2-12-6-4-3-5-9-18(12)15(21)17-11-7-8-13(14(19)20)16-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyLANQELHIRIGYQZ-UHFFFAOYSA-N
XLogP2.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 97201683
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid (CID 104690906) is 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid is CCC1CCCCCN1C(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LANQELHIRIGYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-12-6-4-3-5-9-18(12)15(21)17-11-7-8-13(14(19)20)16-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104690906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).