5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione

C18H25N3O2 — CID 146103850

IUPAC5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C2CCCCCC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C18H25N3O2/c22-17-16(15-7-3-1-2-4-8-15)13-20-18(23)21(17)11-9-14-6-5-10-19-12-14/h5-6,10,12,15-16H,1-4,7-9,11,13H2,(H,20,23)
InChIKeyVKHCQACQRJFLMA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.76
Rot. Bonds4

About 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione

5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione (PubChem CID 146103850) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
PubChem CID146103850
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C2CCCCCC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C18H25N3O2/c22-17-16(15-7-3-1-2-4-8-15)13-20-18(23)21(17)11-9-14-6-5-10-19-12-14/h5-6,10,12,15-16H,1-4,7-9,11,13H2,(H,20,23)
InChIKeyVKHCQACQRJFLMA-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
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3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3-(2-pyrrolidin-1-ylethyl)pyridine
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1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
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3-(2-pyridin-3-ylethylamino)azepan-2-one
CID 60914794
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891385
5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione
CID 138012204
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
3-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
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[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione (CID 146103850) is 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione is O=C1NCC(C2CCCCCC2)C(=O)N1CCc1cccnc1.
What is the InChIKey of 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione?
The InChIKey is VKHCQACQRJFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-16(15-7-3-1-2-4-8-15)13-20-18(23)21(17)11-9-14-6-5-10-19-12-14/h5-6,10,12,15-16H,1-4,7-9,11,13H2,(H,20,23).
What are the key properties of 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione?
5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione has a molecular weight of 315.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146103850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).