5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid

C15H21N3O3 — CID 65282409

IUPAC5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC1(C)CCCN(C(=O)Nc2cncc(C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2)4-3-6-18(7-5-15)14(21)17-12-8-11(13(19)20)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLCKDCIBJGGYXIL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.82
Rot. Bonds2

About 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid

5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 65282409) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID65282409
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC1(C)CCCN(C(=O)Nc2cncc(C(=O)O)c2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2)4-3-6-18(7-5-15)14(21)17-12-8-11(13(19)20)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyLCKDCIBJGGYXIL-UHFFFAOYSA-N
XLogP2.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[(2,2-dimethylmorpholine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157892
5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid
CID 67122919
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid (CID 65282409) is 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid is CC1(C)CCCN(C(=O)Nc2cncc(C(=O)O)c2)CC1.
What is the InChIKey of 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LCKDCIBJGGYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)4-3-6-18(7-5-15)14(21)17-12-8-11(13(19)20)9-16-10-12/h8-10H,3-7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 65282409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).