5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one

C14H23N3O — CID 63623496

IUPAC5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1CCCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C14H23N3O/c1-12-3-2-7-16(8-6-12)9-10-17-11-13(15)4-5-14(17)18/h4-5,11-12H,2-3,6-10,15H2,1H3
InChIKeyZRWBTRWTXLNWGM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.55
Rot. Bonds3

About 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one (PubChem CID 63623496) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
PubChem CID63623496
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1CCCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C14H23N3O/c1-12-3-2-7-16(8-6-12)9-10-17-11-13(15)4-5-14(17)18/h4-5,11-12H,2-3,6-10,15H2,1H3
InChIKeyZRWBTRWTXLNWGM-UHFFFAOYSA-N
XLogP1.55
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
CID 114236554
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
CID 65283618
5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62330989
5-amino-1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 63972270
5-amino-1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 106835439
5-amino-1-[2-(2,3-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62125307
5-amino-1-[2-(4,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62937365
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]piperidine-4-carboxamide
CID 43259605
5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
CID 55248042
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
CID 113335564
5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 63171540
5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 61439168

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one (CID 63623496) is 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one is CC1CCCN(CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one?
The InChIKey is ZRWBTRWTXLNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-3-2-7-16(8-6-12)9-10-17-11-13(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-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 63623496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).