4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one

C16H25N3O2 — CID 53191783

IUPAC4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one
SMILESCN(CC(=O)N1CCCCCC1)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C16H25N3O2/c1-17(12-14-7-10-18(2)15(20)11-14)13-16(21)19-8-5-3-4-6-9-19/h7,10-11H,3-6,8-9,12-13H2,1-2H3
InChIKeyADRSPQNWPAKBEE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.22
Rot. Bonds4

About 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one

4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one (PubChem CID 53191783) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one
PubChem CID53191783
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one
SMILESCN(CC(=O)N1CCCCCC1)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C16H25N3O2/c1-17(12-14-7-10-18(2)15(20)11-14)13-16(21)19-8-5-3-4-6-9-19/h7,10-11H,3-6,8-9,12-13H2,1-2H3
InChIKeyADRSPQNWPAKBEE-UHFFFAOYSA-N
XLogP1.22
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-({[2-(Azepan-1-YL)-2-oxoethyl](methyl)amino}methyl)-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 53191689
5-{[[2-(1-azepanyl)-2-oxoethyl](methyl)amino]methyl}-1-ethyl-2(1H)-pyridinone
CID 53191754
1-methyl-4-({methyl[2-oxo-2-(1-pyrrolidinyl)ethyl]amino}methyl)-2(1H)-pyridinone
CID 53191779
4-{[[2-(1-azepanyl)-2-oxoethyl](methyl)amino]methyl}-2(1H)-pyridinone
CID 53191815
5-[(Azepan-1-YL)methyl]-1-ethyl-1,2-dihydropyridin-2-one
CID 53015189
1-[2-(Azocan-1-yl)-2-oxoethyl]-4-methylpyridin-2-one
CID 53588279
4-Methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one
CID 126825223
1-{2-[(3S)-3-(dimethylamino)azepan-1-yl]-2-oxoethyl}-5-(trifluoromethyl)pyridin-2(1H)-one
CID 70740855
1-[2-[3-(Dimethylamino)azepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 77851101
1-[2-(Azepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 84313650
1-[2-(Azepan-1-yl)-2-oxoethyl]-5-fluoropyridin-2-one
CID 84313825
1-[2-(Azepan-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 133819676

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one (CID 53191783) is 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one is CN(CC(=O)N1CCCCCC1)Cc1ccn(C)c(=O)c1.
What is the InChIKey of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one?
The InChIKey is ADRSPQNWPAKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17(12-14-7-10-18(2)15(20)11-14)13-16(21)19-8-5-3-4-6-9-19/h7,10-11H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one?
4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).