(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone

C15H16N2OS — CID 10038899

IUPAC(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-8-17(11)15(18)12-6-7-13(16-10-12)14-5-3-9-19-14/h3,5-7,9-11H,2,4,8H2,1H3
InChIKeyCHQVMNCJVDHLPD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds2

About (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone

(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone (PubChem CID 10038899) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone
PubChem CID10038899
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-8-17(11)15(18)12-6-7-13(16-10-12)14-5-3-9-19-14/h3,5-7,9-11H,2,4,8H2,1H3
InChIKeyCHQVMNCJVDHLPD-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone (CID 10038899) is (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone is CC1CCCN1C(=O)c1ccc(-c2cccs2)nc1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone?
The InChIKey is CHQVMNCJVDHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-4-2-8-17(11)15(18)12-6-7-13(16-10-12)14-5-3-9-19-14/h3,5-7,9-11H,2,4,8H2,1H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone?
(2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-(6-thiophen-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 10038899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).