5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one

C14H23N3O2 — CID 62988257

IUPAC5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one
SMILESCC1CN(CCCn2cc(N)ccc2=O)CCCO1
InChIInChI=1S/C14H23N3O2/c1-12-10-16(7-3-9-19-12)6-2-8-17-11-13(15)4-5-14(17)18/h4-5,11-12H,2-3,6-10,15H2,1H3
InChIKeyLXCHEFSRFJXJMJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.93
Rot. Bonds4

About 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one

5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one (PubChem CID 62988257) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one
PubChem CID62988257
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one
SMILESCC1CN(CCCn2cc(N)ccc2=O)CCCO1
InChIInChI=1S/C14H23N3O2/c1-12-10-16(7-3-9-19-12)6-2-8-17-11-13(15)4-5-14(17)18/h4-5,11-12H,2-3,6-10,15H2,1H3
InChIKeyLXCHEFSRFJXJMJ-UHFFFAOYSA-N
XLogP0.93
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
CID 63604666
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
CID 43259593
5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 112624400
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095689
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
CID 65283618
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one (CID 62988257) is 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one is CC1CN(CCCn2cc(N)ccc2=O)CCCO1.
What is the InChIKey of 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one?
The InChIKey is LXCHEFSRFJXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-10-16(7-3-9-19-12)6-2-8-17-11-13(15)4-5-14(17)18/h4-5,11-12H,2-3,6-10,15H2,1H3.
What are the key properties of 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one?
5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one is sourced from PubChem (CID 62988257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).