5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one

C16H20N2OS — CID 60930788

IUPAC5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(NC(c2cccs2)C2CCCC2)ccc1=O
InChIInChI=1S/C16H20N2OS/c1-18-11-13(8-9-15(18)19)17-16(12-5-2-3-6-12)14-7-4-10-20-14/h4,7-12,16-17H,2-3,5-6H2,1H3
InChIKeyRZRHJLWEBFFCPW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.79
Rot. Bonds4

About 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one

5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one (PubChem CID 60930788) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
PubChem CID60930788
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(NC(c2cccs2)C2CCCC2)ccc1=O
InChIInChI=1S/C16H20N2OS/c1-18-11-13(8-9-15(18)19)17-16(12-5-2-3-6-12)14-7-4-10-20-14/h4,7-12,16-17H,2-3,5-6H2,1H3
InChIKeyRZRHJLWEBFFCPW-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516
N-[cyclopentyl(thiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831677
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one (CID 60930788) is 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one is Cn1cc(NC(c2cccs2)C2CCCC2)ccc1=O.
What is the InChIKey of 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one?
The InChIKey is RZRHJLWEBFFCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-18-11-13(8-9-15(18)19)17-16(12-5-2-3-6-12)14-7-4-10-20-14/h4,7-12,16-17H,2-3,5-6H2,1H3.
What are the key properties of 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one?
5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 60930788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).