N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide

C16H23N3O3 — CID 37487698

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCCOc1ncccc1CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C16H23N3O3/c1-2-22-16-13(7-6-9-17-16)11-18-14(20)12-19-10-5-3-4-8-15(19)21/h6-7,9H,2-5,8,10-12H2,1H3,(H,18,20)
InChIKeyATKSLVYMTGXNSH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 37487698) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID37487698
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCCOc1ncccc1CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C16H23N3O3/c1-2-22-16-13(7-6-9-17-16)11-18-14(20)12-19-10-5-3-4-8-15(19)21/h6-7,9H,2-5,8,10-12H2,1H3,(H,18,20)
InChIKeyATKSLVYMTGXNSH-UHFFFAOYSA-N
XLogP1.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 37487698) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is CCOc1ncccc1CNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is ATKSLVYMTGXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-16-13(7-6-9-17-16)11-18-14(20)12-19-10-5-3-4-8-15(19)21/h6-7,9H,2-5,8,10-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 37487698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).