2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C20H31N3O4 — CID 41148182

IUPAC2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C20H31N3O4/c1-26-19-14-23(15-20(25)21-12-17-7-6-10-27-17)16(11-18(19)24)13-22-8-4-2-3-5-9-22/h11,14,17H,2-10,12-13,15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyRWNAIEMJSNKTOI-QGZVFWFLSA-N
MW377.49 g/mol
LogP1.53
Rot. Bonds7

About 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 41148182) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID41148182
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C20H31N3O4/c1-26-19-14-23(15-20(25)21-12-17-7-6-10-27-17)16(11-18(19)24)13-22-8-4-2-3-5-9-22/h11,14,17H,2-10,12-13,15H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyRWNAIEMJSNKTOI-QGZVFWFLSA-N
XLogP1.53
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 41148182) is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCCCCC2)cc1=O.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is RWNAIEMJSNKTOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-26-19-14-23(15-20(25)21-12-17-7-6-10-27-17)16(11-18(19)24)13-22-8-4-2-3-5-9-22/h11,14,17H,2-10,12-13,15H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41148182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).