1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one

C16H21N3O — CID 82896599

IUPAC1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H21N3O/c1-18(10-11-19-9-3-2-4-16(19)20)13-15-7-5-14(12-17)6-8-15/h2-9H,10-13,17H2,1H3
InChIKeyFQYBYBKYVRISOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one

1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one (PubChem CID 82896599) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
PubChem CID82896599
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H21N3O/c1-18(10-11-19-9-3-2-4-16(19)20)13-15-7-5-14(12-17)6-8-15/h2-9H,10-13,17H2,1H3
InChIKeyFQYBYBKYVRISOK-UHFFFAOYSA-N
XLogP1.44
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one (CID 82896599) is 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one is CN(CCn1ccccc1=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one?
The InChIKey is FQYBYBKYVRISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(10-11-19-9-3-2-4-16(19)20)13-15-7-5-14(12-17)6-8-15/h2-9H,10-13,17H2,1H3.
What are the key properties of 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one?
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).