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

C16H25N3O — CID 82738475

IUPAC1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
SMILESCCc1cccnc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-14-8-7-9-18-15(14)12-17-13-16(20)19-10-5-3-4-6-11-19/h7-9,17H,2-6,10-13H2,1H3
InChIKeyRXLHSKOBAAYOAP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds5

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

1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone (PubChem CID 82738475) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
PubChem CID82738475
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
SMILESCCc1cccnc1CNCC(=O)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-14-8-7-9-18-15(14)12-17-13-16(20)19-10-5-3-4-6-11-19/h7-9,17H,2-6,10-13H2,1H3
InChIKeyRXLHSKOBAAYOAP-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60858022
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone (CID 82738475) is 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone is CCc1cccnc1CNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone?
The InChIKey is RXLHSKOBAAYOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-14-8-7-9-18-15(14)12-17-13-16(20)19-10-5-3-4-6-11-19/h7-9,17H,2-6,10-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone is sourced from PubChem (CID 82738475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).