[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone

C12H12N2OS — CID 102839616

IUPAC[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H12N2OS/c1-8-11(3-5-16-8)12(15)9-2-4-14-10(6-9)7-13/h2-6H,7,13H2,1H3
InChIKeyDMKPTPWQDGTRKF-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.14
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone

[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone (PubChem CID 102839616) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
PubChem CID102839616
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H12N2OS/c1-8-11(3-5-16-8)12(15)9-2-4-14-10(6-9)7-13/h2-6H,7,13H2,1H3
InChIKeyDMKPTPWQDGTRKF-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
CID 116601966
(2-methylthiophen-3-yl)-pyridazin-4-ylmethanone
CID 102840057
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
CID 116601786
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone (CID 102839616) is [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1ccnc(CN)c1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone?
The InChIKey is DMKPTPWQDGTRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-11(3-5-16-8)12(15)9-2-4-14-10(6-9)7-13/h2-6H,7,13H2,1H3.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone?
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone has a molecular weight of 232.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102839616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).