3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C18H16N2OS — CID 121166266

IUPAC3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cccnc2-c2cccs2)c1
InChIInChI=1S/C18H16N2OS/c1-13-5-2-6-14(11-13)18(21)20-12-15-7-3-9-19-17(15)16-8-4-10-22-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyIKILKVZEBPFTAV-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121166266) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID121166266
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2cccnc2-c2cccs2)c1
InChIInChI=1S/C18H16N2OS/c1-13-5-2-6-14(11-13)18(21)20-12-15-7-3-9-19-17(15)16-8-4-10-22-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyIKILKVZEBPFTAV-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
(E)-3-(2-chlorophenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]prop-2-enamide
CID 91625800
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 121166266) is 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is Cc1cccc(C(=O)NCc2cccnc2-c2cccs2)c1.
What is the InChIKey of 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is IKILKVZEBPFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-5-2-6-14(11-13)18(21)20-12-15-7-3-9-19-17(15)16-8-4-10-22-16/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 308.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121166266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).