N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C28H38N4O4 — CID 42425389

IUPACN-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O
InChIInChI=1S/C28H38N4O4/c33-20-23-13-7-9-16-32(23)28(36)25-19-31(17-14-21-10-6-8-15-29-21)18-24(26(25)34)27(35)30-22-11-4-2-1-3-5-12-22/h6,8,10,15,18-19,22-23,33H,1-5,7,9,11-14,16-17,20H2,(H,30,35)/t23-/m1/s1
InChIKeySTISTXZGBWURSR-HSZRJFAPSA-N
MW494.64 g/mol
LogP3.32
Rot. Bonds7

About N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 42425389) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID42425389
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O
InChIInChI=1S/C28H38N4O4/c33-20-23-13-7-9-16-32(23)28(36)25-19-31(17-14-21-10-6-8-15-29-21)18-24(26(25)34)27(35)30-22-11-4-2-1-3-5-12-22/h6,8,10,15,18-19,22-23,33H,1-5,7,9,11-14,16-17,20H2,(H,30,35)/t23-/m1/s1
InChIKeySTISTXZGBWURSR-HSZRJFAPSA-N
XLogP3.32
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
N-cyclooctyl-5-[(3R)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42449631
5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 118793424
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
N-cyclopentyl-1-(3-methylbutyl)-4-oxo-5-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42171259
5-N-cyclooctyl-3-N-[(4R)-2,2-dimethyloxan-4-yl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42278027
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
5-N-cyclooctyl-3-N-methyl-4-oxo-1-(oxolan-2-ylmethyl)-3-N-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45216743
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 42425389) is N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O.
What is the InChIKey of N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is STISTXZGBWURSR-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H38N4O4/c33-20-23-13-7-9-16-32(23)28(36)25-19-31(17-14-21-10-6-8-15-29-21)18-24(26(25)34)27(35)30-22-11-4-2-1-3-5-12-22/h6,8,10,15,18-19,22-23,33H,1-5,7,9,11-14,16-17,20H2,(H,30,35)/t23-/m1/s1.
What are the key properties of N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42425389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).