1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one

C17H16N2OS — CID 61017248

IUPAC1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
SMILESCn1cc(NCc2cc(-c3ccccc3)cs2)ccc1=O
InChIInChI=1S/C17H16N2OS/c1-19-11-15(7-8-17(19)20)18-10-16-9-14(12-21-16)13-5-3-2-4-6-13/h2-9,11-12,18H,10H2,1H3
InChIKeyLRUSFKADIJWWNF-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.73
Rot. Bonds4

About 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one

1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one (PubChem CID 61017248) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
PubChem CID61017248
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
SMILESCn1cc(NCc2cc(-c3ccccc3)cs2)ccc1=O
InChIInChI=1S/C17H16N2OS/c1-19-11-15(7-8-17(19)20)18-10-16-9-14(12-21-16)13-5-3-2-4-6-13/h2-9,11-12,18H,10H2,1H3
InChIKeyLRUSFKADIJWWNF-UHFFFAOYSA-N
XLogP3.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one (CID 61017248) is 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one is Cn1cc(NCc2cc(-c3ccccc3)cs2)ccc1=O.
What is the InChIKey of 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one?
The InChIKey is LRUSFKADIJWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-11-15(7-8-17(19)20)18-10-16-9-14(12-21-16)13-5-3-2-4-6-13/h2-9,11-12,18H,10H2,1H3.
What are the key properties of 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one?
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one has a molecular weight of 296.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 61017248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).