5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

C28H34N4O4 — CID 42209955

IUPAC5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESC[C@H](NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O)c1ccco1
InChIInChI=1S/C28H34N4O4/c1-20(25-13-9-17-36-25)30-27(34)23-18-32(16-14-21-10-7-8-15-29-21)19-24(26(23)33)28(35)31-22-11-5-3-2-4-6-12-22/h7-10,13,15,17-20,22H,2-6,11-12,14,16H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1
InChIKeyZMXNIXBDZHSTDC-FQEVSTJZSA-N
MW490.60 g/mol
LogP4.41
Rot. Bonds8

About 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 42209955) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID42209955
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESC[C@H](NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O)c1ccco1
InChIInChI=1S/C28H34N4O4/c1-20(25-13-9-17-36-25)30-27(34)23-18-32(16-14-21-10-7-8-15-29-21)19-24(26(23)33)28(35)31-22-11-5-3-2-4-6-12-22/h7-10,13,15,17-20,22H,2-6,11-12,14,16H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1
InChIKeyZMXNIXBDZHSTDC-FQEVSTJZSA-N
XLogP4.41
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide 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

5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42425389
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481807
3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26324517
N-cyclooctyl-5-[(3R)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42449631
5-N-cyclooctyl-3-N-[(4R)-2,2-dimethyloxan-4-yl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42278027
5-N-cyclooctyl-3-N-methyl-4-oxo-1-(oxolan-2-ylmethyl)-3-N-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45216743
5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
ethyl 3-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]propanoate
CID 42278246

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (CID 42209955) is 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is C[C@H](NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NC2CCCCCCC2)c1=O)c1ccco1.
What is the InChIKey of 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is ZMXNIXBDZHSTDC-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-20(25-13-9-17-36-25)30-27(34)23-18-32(16-14-21-10-7-8-15-29-21)19-24(26(23)33)28(35)31-22-11-5-3-2-4-6-12-22/h7-10,13,15,17-20,22H,2-6,11-12,14,16H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1.
What are the key properties of 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 490.60 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42209955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).