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

C18H29N3O3 — CID 18566934

IUPAC2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1
InChIInChI=1S/C18H29N3O3/c1-3-8-19-18(23)14-21-13-17(24-2)16(22)11-15(21)12-20-9-6-4-5-7-10-20/h11,13H,3-10,12,14H2,1-2H3,(H,19,23)
InChIKeyRUGOENQJYBIBJO-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.76
Rot. Bonds7

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

2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 18566934) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID18566934
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1
InChIInChI=1S/C18H29N3O3/c1-3-8-19-18(23)14-21-13-17(24-2)16(22)11-15(21)12-20-9-6-4-5-7-10-20/h11,13H,3-10,12,14H2,1-2H3,(H,19,23)
InChIKeyRUGOENQJYBIBJO-UHFFFAOYSA-N
XLogP1.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclopentylacetamide
CID 18566930
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
2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 40829092
N-Cyclopentyl-2-{5-methoxy-4-oxo-2-[(piperidin-1-YL)methyl]-1,4-dihydropyridin-1-YL}acetamide
CID 44826930
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclopropylacetamide
CID 71705584
2-{2-[(Azepan-1-YL)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-YL}-N-tert-butylacetamide
CID 18566935
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide
CID 27457075
N-(tert-butyl)-2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 27532178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide (CID 18566934) is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is RUGOENQJYBIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-8-19-18(23)14-21-13-17(24-2)16(22)11-15(21)12-20-9-6-4-5-7-10-20/h11,13H,3-10,12,14H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide?
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 335.45 g/mol, XLogP of 1.76, 7 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-propylacetamide is sourced from PubChem (CID 18566934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).