2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide

C20H31N3O3 — CID 18566930

IUPAC2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCOc1cn(CC(=O)NC2CCCC2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C20H31N3O3/c1-26-19-14-23(15-20(25)21-16-8-4-5-9-16)17(12-18(19)24)13-22-10-6-2-3-7-11-22/h12,14,16H,2-11,13,15H2,1H3,(H,21,25)
InChIKeyIUPDHZAYUMLVTF-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.29
Rot. Bonds6

About 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide

2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide (PubChem CID 18566930) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
PubChem CID18566930
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCOc1cn(CC(=O)NC2CCCC2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C20H31N3O3/c1-26-19-14-23(15-20(25)21-16-8-4-5-9-16)17(12-18(19)24)13-22-10-6-2-3-7-11-22/h12,14,16H,2-11,13,15H2,1H3,(H,21,25)
InChIKeyIUPDHZAYUMLVTF-UHFFFAOYSA-N
XLogP2.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-((4-acetylpiperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclohexylacetamide
CID 18566947
N-cyclohexyl-2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 44015419
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclohexylacetamide
CID 44015420
N-cyclopentyl-4-hydroxy-5-methoxypyridine-2-carboxamide
CID 27448436
N-isopropyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]acetamide
CID 27532517
N-Cyclopentyl-2-{5-methoxy-4-oxo-2-[(piperidin-1-YL)methyl]-1,4-dihydropyridin-1-YL}acetamide
CID 44826930
N-cyclopentyl-2-(5-methoxy-2-(morpholinomethyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 44894737
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclopropylacetamide
CID 71705584
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-propylacetamide
CID 18566934
2-{2-[(Azepan-1-YL)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-YL}-N-tert-butylacetamide
CID 18566935
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-isopropylacetamide
CID 27532519
N-isopropyl-2-(5-methoxy-2-((4-methylpiperidin-1-yl)methyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 27603271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide (CID 18566930) is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide is COc1cn(CC(=O)NC2CCCC2)c(CN2CCCCCC2)cc1=O.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The InChIKey is IUPDHZAYUMLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-26-19-14-23(15-20(25)21-16-8-4-5-9-16)17(12-18(19)24)13-22-10-6-2-3-7-11-22/h12,14,16H,2-11,13,15H2,1H3,(H,21,25).
What are the key properties of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide?
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide has a molecular weight of 361.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 18566930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).