2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide

C16H25N3O2 — CID 125437016

IUPAC2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
SMILESCOC[C@H](NC(=O)CN1CCCCCC1)c1ccccn1
InChIInChI=1S/C16H25N3O2/c1-21-13-15(14-8-4-5-9-17-14)18-16(20)12-19-10-6-2-3-7-11-19/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUZHADQIPNYCWNO-HNNXBMFYSA-N
MW291.39 g/mol
LogP1.76
Rot. Bonds6

About 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide

2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide (PubChem CID 125437016) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
PubChem CID125437016
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
SMILESCOC[C@H](NC(=O)CN1CCCCCC1)c1ccccn1
InChIInChI=1S/C16H25N3O2/c1-21-13-15(14-8-4-5-9-17-14)18-16(20)12-19-10-6-2-3-7-11-19/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUZHADQIPNYCWNO-HNNXBMFYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide (CID 125437016) is 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide is COC[C@H](NC(=O)CN1CCCCCC1)c1ccccn1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide?
The InChIKey is UZHADQIPNYCWNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-13-15(14-8-4-5-9-17-14)18-16(20)12-19-10-6-2-3-7-11-19/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide?
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 125437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).