2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C17H27N3O — CID 90649983

IUPAC2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CN1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-19(14-9-16-7-10-18-11-8-16)17(21)15-20-12-5-3-2-4-6-13-20/h7-8,10-11H,2-6,9,12-15H2,1H3
InChIKeyHDNYMBVFLUTAIB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.35
Rot. Bonds5

About 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 90649983) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID90649983
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CN1CCCCCCC1
InChIInChI=1S/C17H27N3O/c1-19(14-9-16-7-10-18-11-8-16)17(21)15-20-12-5-3-2-4-6-13-20/h7-8,10-11H,2-6,9,12-15H2,1H3
InChIKeyHDNYMBVFLUTAIB-UHFFFAOYSA-N
XLogP2.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 79328384
2-(4-benzylpiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001508
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001489
N-methyl-2-[3-(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-2-yl)pyrrolidin-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110224210
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323921
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
CID 110705764
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 90649983) is 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is HDNYMBVFLUTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(14-9-16-7-10-18-11-8-16)17(21)15-20-12-5-3-2-4-6-13-20/h7-8,10-11H,2-6,9,12-15H2,1H3.
What are the key properties of 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 90649983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).