[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol

C13H16N2OS — CID 80631311

IUPAC[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10-5-12(8-16)6-14-13(10)15(2)7-11-3-4-17-9-11/h3-6,9,16H,7-8H2,1-2H3
InChIKeyICRSXWIMEFWYCG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.58
Rot. Bonds4

About [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol

[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol (PubChem CID 80631311) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
PubChem CID80631311
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10-5-12(8-16)6-14-13(10)15(2)7-11-3-4-17-9-11/h3-6,9,16H,7-8H2,1-2H3
InChIKeyICRSXWIMEFWYCG-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-3-pyridinyl]methanol
CID 80631809
1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80629194
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
CID 62134695
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
2-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80632786
3-(ethylaminomethyl)-N,4,6-trimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279601
[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 80632052
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol (CID 80631311) is [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N(C)Cc1ccsc1.
What is the InChIKey of [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol?
The InChIKey is ICRSXWIMEFWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-5-12(8-16)6-14-13(10)15(2)7-11-3-4-17-9-11/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol?
[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 80631311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).