1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone

C16H24N2O — CID 83118890

IUPAC1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
SMILESCCCC1CCCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-5-14-6-4-10-18(11-9-14)15-7-8-16(13(2)19)17-12-15/h7-8,12,14H,3-6,9-11H2,1-2H3
InChIKeyOAHHTHQZYRPARV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.69
Rot. Bonds4

About 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone

1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone (PubChem CID 83118890) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
PubChem CID83118890
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
SMILESCCCC1CCCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-5-14-6-4-10-18(11-9-14)15-7-8-16(13(2)19)17-12-15/h7-8,12,14H,3-6,9-11H2,1-2H3
InChIKeyOAHHTHQZYRPARV-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylpyridine
CID 14286
3-Acetyl-6-methylpyridine
CID 95292
2-Acetyl-4-methylpyridine
CID 564760
Bupicomide
CID 31447
2-Acetyl-4-isopropenylpyridine
CID 529344
2-Acetyl-4-isopropylpyridine
CID 529345
3-(Dimethylamino)-1-(6-methyl-3-pyridinyl)-2-propen-1-one
CID 5714022
3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
CID 566993
2-Propionylpyridine
CID 520574
1-(5-Methyl-2-pyridinyl)ethanone
CID 13068663
3-[Benzyl(tert-butyl)amino]-1-pyridin-2-ylpropan-1-one
CID 46231615
(2E)-1-[4-(dimethylamino)phenyl]-3-(pyridin-3-yl)prop-2-en-1-one
CID 5978911

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone (CID 83118890) is 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone is CCCC1CCCN(c2ccc(C(C)=O)nc2)CC1.
What is the InChIKey of 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone?
The InChIKey is OAHHTHQZYRPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-5-14-6-4-10-18(11-9-14)15-7-8-16(13(2)19)17-12-15/h7-8,12,14H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone?
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).