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

C14H21N3O2 — CID 55248042

IUPAC5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cc(N)ccc2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11-3-2-7-16(8-6-11)14(19)10-17-9-12(15)4-5-13(17)18/h4-5,9,11H,2-3,6-8,10,15H2,1H3
InChIKeyQVKMTJGHDULZTB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds2

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

5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 55248042) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID55248042
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cc(N)ccc2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-11-3-2-7-16(8-6-11)14(19)10-17-9-12(15)4-5-13(17)18/h4-5,9,11H,2-3,6-8,10,15H2,1H3
InChIKeyQVKMTJGHDULZTB-UHFFFAOYSA-N
XLogP1.08
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816686
5-amino-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 94895192
5-amino-1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]pyridin-2-one
CID 62816359
5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 62815109
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
5-amino-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816002
5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816340
5-amino-1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 63156508
5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one
CID 62816871
5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
CID 106313226
3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one (CID 55248042) is 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one is CC1CCCN(C(=O)Cn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is QVKMTJGHDULZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-3-2-7-16(8-6-11)14(19)10-17-9-12(15)4-5-13(17)18/h4-5,9,11H,2-3,6-8,10,15H2,1H3.
What are the key properties of 5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.08, 2 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)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 55248042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).