6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

C13H14N2OS — CID 47043683

IUPAC6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C)s2)cn1
InChIInChI=1S/C13H14N2OS/c1-9-3-5-11(7-14-9)13(16)15-8-12-6-4-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyHBWHJGIYSWRLNT-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.69
Rot. Bonds3

About 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 47043683) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID47043683
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C)s2)cn1
InChIInChI=1S/C13H14N2OS/c1-9-3-5-11(7-14-9)13(16)15-8-12-6-4-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyHBWHJGIYSWRLNT-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (CID 47043683) is 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(C)s2)cn1.
What is the InChIKey of 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HBWHJGIYSWRLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-3-5-11(7-14-9)13(16)15-8-12-6-4-10(2)17-12/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47043683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).