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

C15H21N3O3 — CID 37485935

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOc1ncccc1CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H21N3O3/c1-21-15-12(6-5-8-16-15)10-17-13(19)11-18-9-4-2-3-7-14(18)20/h5-6,8H,2-4,7,9-11H2,1H3,(H,17,19)
InChIKeyJSBZYWQKONMRKA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds5

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

N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 37485935) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID37485935
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCOc1ncccc1CNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H21N3O3/c1-21-15-12(6-5-8-16-15)10-17-13(19)11-18-9-4-2-3-7-14(18)20/h5-6,8H,2-4,7,9-11H2,1H3,(H,17,19)
InChIKeyJSBZYWQKONMRKA-UHFFFAOYSA-N
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 37485935) is N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is COc1ncccc1CNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is JSBZYWQKONMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-15-12(6-5-8-16-15)10-17-13(19)11-18-9-4-2-3-7-14(18)20/h5-6,8H,2-4,7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 37485935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).