N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide

C15H23N3O2 — CID 71842546

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C15H23N3O2/c1-20-12-15(19)17-11-13-6-7-14(16-10-13)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,17,19)
InChIKeyOMFFFKYOWBPDCL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide (PubChem CID 71842546) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
PubChem CID71842546
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C15H23N3O2/c1-20-12-15(19)17-11-13-6-7-14(16-10-13)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,17,19)
InChIKeyOMFFFKYOWBPDCL-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 154774754
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide (CID 71842546) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide?
The InChIKey is OMFFFKYOWBPDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-12-15(19)17-11-13-6-7-14(16-10-13)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,17,19).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 71842546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).