2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C15H21N3O2 — CID 51081590

IUPAC2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCCC1=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c19-14(17-11-13-7-4-5-9-16-13)12-18-10-6-2-1-3-8-15(18)20/h4-5,7,9H,1-3,6,8,10-12H2,(H,17,19)
InChIKeyTUPPSTYHURJWOB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 51081590) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID51081590
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCCC1=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c19-14(17-11-13-7-4-5-9-16-13)12-18-10-6-2-1-3-8-15(18)20/h4-5,7,9H,1-3,6,8,10-12H2,(H,17,19)
InChIKeyTUPPSTYHURJWOB-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyroxamide
CID 4996
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
2-Pyridineacetamide
CID 227129
Heptanamide, 7-mercapto-N-3-pyridinyl-
CID 11345433
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
CID 16745846
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
Diquat metabolite
CID 86209565
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 836345

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 51081590) is 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCCCCCC1=O)NCc1ccccn1.
What is the InChIKey of 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is TUPPSTYHURJWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(17-11-13-7-4-5-9-16-13)12-18-10-6-2-1-3-8-15(18)20/h4-5,7,9H,1-3,6,8,10-12H2,(H,17,19).
What are the key properties of 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazocan-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 51081590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).