5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one

C16H21N3O — CID 43574950

IUPAC5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1ccccc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C16H21N3O/c1-13-5-3-4-6-14(13)11-18(2)9-10-19-12-15(17)7-8-16(19)20/h3-8,12H,9-11,17H2,1-2H3
InChIKeyPHDRNXCFOFQCTR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.87
Rot. Bonds5

About 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one (PubChem CID 43574950) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one
PubChem CID43574950
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1ccccc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C16H21N3O/c1-13-5-3-4-6-14(13)11-18(2)9-10-19-12-15(17)7-8-16(19)20/h3-8,12H,9-11,17H2,1-2H3
InChIKeyPHDRNXCFOFQCTR-UHFFFAOYSA-N
XLogP1.87
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one (CID 43574950) is 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one is Cc1ccccc1CN(C)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one?
The InChIKey is PHDRNXCFOFQCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-5-3-4-6-14(13)11-18(2)9-10-19-12-15(17)7-8-16(19)20/h3-8,12H,9-11,17H2,1-2H3.
What are the key properties of 5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.87, 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-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 43574950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).