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

C18H29N3O3 — CID 27532519

IUPAC2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-14(2)19-18(23)13-21-12-17(24-3)16(22)10-15(21)11-20-8-6-4-5-7-9-20/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23)
InChIKeyUPOGGCBERJVYJP-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.76
Rot. Bonds6

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

2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 27532519) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID27532519
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-14(2)19-18(23)13-21-12-17(24-3)16(22)10-15(21)11-20-8-6-4-5-7-9-20/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23)
InChIKeyUPOGGCBERJVYJP-UHFFFAOYSA-N
XLogP1.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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
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
N-cyclohexyl-2-(5-methoxy-2-((4-methylpiperidin-1-yl)methyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 18566898
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
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-propan-2-ylacetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 27532519) is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is COc1cn(CC(=O)NC(C)C)c(CN2CCCCCC2)cc1=O.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is UPOGGCBERJVYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(2)19-18(23)13-21-12-17(24-3)16(22)10-15(21)11-20-8-6-4-5-7-9-20/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23).
What are the key properties of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 1.76, 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-propan-2-ylacetamide is sourced from PubChem (CID 27532519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).