5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one

C16H20ClN3O — CID 62978581

IUPAC5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one
SMILESCC(c1ccc(Cl)cc1)N(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C16H20ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)9-10-20-11-15(18)7-8-16(20)21/h3-8,11-12H,9-10,18H2,1-2H3
InChIKeySCFOPXKODIDASN-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.78
Rot. Bonds5

About 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one

5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one (PubChem CID 62978581) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one
PubChem CID62978581
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one
SMILESCC(c1ccc(Cl)cc1)N(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C16H20ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)9-10-20-11-15(18)7-8-16(20)21/h3-8,11-12H,9-10,18H2,1-2H3
InChIKeySCFOPXKODIDASN-UHFFFAOYSA-N
XLogP2.78
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 62978490
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
5-amino-1-[2-[ethyl(propyl)amino]ethyl]pyridin-2-one
CID 43268319
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one
CID 54996169
4-[1-[methyl(2-methylsulfonylethyl)amino]ethyl]aniline
CID 79842388
5-amino-1-[3-(dipropylamino)propyl]pyridin-2-one
CID 43259542
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
CID 61426276

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one (CID 62978581) is 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one is CC(c1ccc(Cl)cc1)N(C)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one?
The InChIKey is SCFOPXKODIDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)9-10-20-11-15(18)7-8-16(20)21/h3-8,11-12H,9-10,18H2,1-2H3.
What are the key properties of 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one?
5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one has a molecular weight of 305.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 62978581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).