1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one

C15H23N3O2 — CID 70705757

IUPAC1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCCC(N)C1
InChIInChI=1S/C15H23N3O2/c1-12-5-4-7-15(20)18(12)10-8-14(19)17-9-3-2-6-13(16)11-17/h4-5,7,13H,2-3,6,8-11,16H2,1H3
InChIKeyWJEHRJPOWZSMTI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds3

About 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one

1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 70705757) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID70705757
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCCC(N)C1
InChIInChI=1S/C15H23N3O2/c1-12-5-4-7-15(20)18(12)10-8-14(19)17-9-3-2-6-13(16)11-17/h4-5,7,13H,2-3,6,8-11,16H2,1H3
InChIKeyWJEHRJPOWZSMTI-UHFFFAOYSA-N
XLogP0.89
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one (CID 70705757) is 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCCCC(N)C1.
What is the InChIKey of 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is WJEHRJPOWZSMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-5-4-7-15(20)18(12)10-8-14(19)17-9-3-2-6-13(16)11-17/h4-5,7,13H,2-3,6,8-11,16H2,1H3.
What are the key properties of 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 70705757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).