1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone

C15H23N3O2 — CID 60859816

IUPAC1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
SMILESCOc1ncccc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-15-13(7-6-8-17-15)11-16-12-14(19)18-9-4-2-3-5-10-18/h6-8,16H,2-5,9-12H2,1H3
InChIKeyLTGVJRQWNZLTLC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds5

About 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone

1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone (PubChem CID 60859816) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
PubChem CID60859816
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
SMILESCOc1ncccc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-15-13(7-6-8-17-15)11-16-12-14(19)18-9-4-2-3-5-10-18/h6-8,16H,2-5,9-12H2,1H3
InChIKeyLTGVJRQWNZLTLC-UHFFFAOYSA-N
XLogP1.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone (CID 60859816) is 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone is COc1ncccc1CNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone?
The InChIKey is LTGVJRQWNZLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-15-13(7-6-8-17-15)11-16-12-14(19)18-9-4-2-3-5-10-18/h6-8,16H,2-5,9-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone is sourced from PubChem (CID 60859816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).