5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one

C15H19N3OS — CID 61433978

IUPAC5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H19N3OS/c16-13-1-4-15(19)18(10-13)7-6-17(14-2-3-14)9-12-5-8-20-11-12/h1,4-5,8,10-11,14H,2-3,6-7,9,16H2
InChIKeyDXRGQYNBKAOLHH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.16
Rot. Bonds6

About 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one (PubChem CID 61433978) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
PubChem CID61433978
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H19N3OS/c16-13-1-4-15(19)18(10-13)7-6-17(14-2-3-14)9-12-5-8-20-11-12/h1,4-5,8,10-11,14H,2-3,6-7,9,16H2
InChIKeyDXRGQYNBKAOLHH-UHFFFAOYSA-N
XLogP2.16
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one (CID 61433978) is 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
The InChIKey is DXRGQYNBKAOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-13-1-4-15(19)18(10-13)7-6-17(14-2-3-14)9-12-5-8-20-11-12/h1,4-5,8,10-11,14H,2-3,6-7,9,16H2.
What are the key properties of 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one has a molecular weight of 289.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 61433978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).