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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454346
N-[(3R)-5,5-difluoro-2-oxoazepan-3-yl]-3,3,3-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]propane-1-sulfonamide
CID 44455643
5-[2-[6-(Difluoromethoxy)-3-pyridinyl]ethyl]-1,4-dihydropyrazine-2,3-dione
CID 168292820
US11045457, Example 149
CID 146423655
N-[(2-methoxyphenyl)methyl]-2-pyridin-1-ium-1-ylacetamide chloride
CID 9551876
N-(4-methoxybenzyl)-N'-(4-pyridinylmethyl)ethanediamide
CID 2901976
N-(6-methoxy-3-pyridinyl)cyclopentanecarboxamide
CID 16196312
N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 18139586
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylpentanamide
CID 28205869
N-ethyl-6-methoxypyridine-3-carboxamide
CID 57267272
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930543

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).