6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid

C19H25N3O4 — CID 119184625

IUPAC6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C19H25N3O4/c23-17(13-14-5-1-2-6-14)21-9-4-10-22(12-11-21)18(24)15-7-3-8-16(20-15)19(25)26/h3,7-8,14H,1-2,4-6,9-13H2,(H,25,26)
InChIKeyZLVJSSMBITXCLP-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.03
Rot. Bonds4

About 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid

6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119184625) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119184625
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)n1
InChIInChI=1S/C19H25N3O4/c23-17(13-14-5-1-2-6-14)21-9-4-10-22(12-11-21)18(24)15-7-3-8-16(20-15)19(25)26/h3,7-8,14H,1-2,4-6,9-13H2,(H,25,26)
InChIKeyZLVJSSMBITXCLP-UHFFFAOYSA-N
XLogP2.03
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-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

6-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 122053696
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
6-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119182737
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119184579
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid (CID 119184625) is 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)n1.
What is the InChIKey of 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is ZLVJSSMBITXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-17(13-14-5-1-2-6-14)21-9-4-10-22(12-11-21)18(24)15-7-3-8-16(20-15)19(25)26/h3,7-8,14H,1-2,4-6,9-13H2,(H,25,26).
What are the key properties of 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).