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

C18H27N3O3 — CID 71705584

IUPAC2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide
SMILESCOc1cn(CC(=O)NC2CC2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-24-17-12-21(13-18(23)19-14-6-7-14)15(10-16(17)22)11-20-8-4-2-3-5-9-20/h10,12,14H,2-9,11,13H2,1H3,(H,19,23)
InChIKeyPYZOEYYYWCKPTI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.51
Rot. Bonds6

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

2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide (PubChem CID 71705584) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide
PubChem CID71705584
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide
SMILESCOc1cn(CC(=O)NC2CC2)c(CN2CCCCCC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-24-17-12-21(13-18(23)19-14-6-7-14)15(10-16(17)22)11-20-8-4-2-3-5-9-20/h10,12,14H,2-9,11,13H2,1H3,(H,19,23)
InChIKeyPYZOEYYYWCKPTI-UHFFFAOYSA-N
XLogP1.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-cyclopropylacetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide (CID 71705584) is 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide is COc1cn(CC(=O)NC2CC2)c(CN2CCCCCC2)cc1=O.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide?
The InChIKey is PYZOEYYYWCKPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-17-12-21(13-18(23)19-14-6-7-14)15(10-16(17)22)11-20-8-4-2-3-5-9-20/h10,12,14H,2-9,11,13H2,1H3,(H,19,23).
What are the key properties of 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide?
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-cyclopropylacetamide has a molecular weight of 333.43 g/mol, XLogP of 1.51, 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-cyclopropylacetamide is sourced from PubChem (CID 71705584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).