N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide

C27H44N2O — CID 139313066

IUPACN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
SMILESCCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1
InChIInChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30)
InChIKeyDQLZMUWLFHTMDT-UHFFFAOYSA-N
MW412.66 g/mol
LogP7.72
Rot. Bonds6

About N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide

N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide (PubChem CID 139313066) has the molecular formula C27H44N2O and a molecular weight of 412.66 g/mol. Its IUPAC name is N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
PubChem CID139313066
Molecular FormulaC27H44N2O
Molecular Weight412.66 g/mol
Exact Mass412.35
IUPAC NameN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
SMILESCCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1
InChIInChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30)
InChIKeyDQLZMUWLFHTMDT-UHFFFAOYSA-N
XLogP7.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide 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

N-(6-acetyl-4-piperidin-1-yl-5-propyl-3-pyridinyl)cyclodecanecarboxamide
CID 135213249
N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
CID 126486281
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
CID 149314243
N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
CID 146616155
N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclooctanecarboxamide
CID 146616100
N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
CID 129310479
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 96609064
N-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)cyclononanecarboxamide
CID 135213240
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The IUPAC name of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide (CID 139313066) is N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The canonical SMILES for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide is CCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1.
What is the InChIKey of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The InChIKey is DQLZMUWLFHTMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30).
What are the key properties of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide has a molecular weight of 412.66 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide is sourced from PubChem (CID 139313066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).