N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide

C17H25N3O2 — CID 113120425

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccnc1
InChIInChI=1S/C17H25N3O2/c1-15(21)20(14-16-7-6-9-18-13-16)12-8-17(22)19-10-4-2-3-5-11-19/h6-7,9,13H,2-5,8,10-12,14H2,1H3
InChIKeyGZKYBAULNXOQNF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.22
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113120425) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113120425
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccnc1
InChIInChI=1S/C17H25N3O2/c1-15(21)20(14-16-7-6-9-18-13-16)12-8-17(22)19-10-4-2-3-5-11-19/h6-7,9,13H,2-5,8,10-12,14H2,1H3
InChIKeyGZKYBAULNXOQNF-UHFFFAOYSA-N
XLogP2.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113118624
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163569
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113151644
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide (CID 113120425) is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccnc1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GZKYBAULNXOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-15(21)20(14-16-7-6-9-18-13-16)12-8-17(22)19-10-4-2-3-5-11-19/h6-7,9,13H,2-5,8,10-12,14H2,1H3.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113120425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).