N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide

C18H16N2OS — CID 53036784

IUPACN-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H16N2OS/c1-13-3-2-4-14(9-13)11-20-18(21)15-5-7-19-17(10-15)16-6-8-22-12-16/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyDCDLACNFKYUGFK-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.05
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide

N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide (PubChem CID 53036784) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
PubChem CID53036784
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H16N2OS/c1-13-3-2-4-14(9-13)11-20-18(21)15-5-7-19-17(10-15)16-6-8-22-12-16/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyDCDLACNFKYUGFK-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

N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036787
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91625618
N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
CID 58247766
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-thiophen-3-yl-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 53119776
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide (CID 53036784) is N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(-c3ccsc3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
The InChIKey is DCDLACNFKYUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-3-2-4-14(9-13)11-20-18(21)15-5-7-19-17(10-15)16-6-8-22-12-16/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide?
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide 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 N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 53036784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).