3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C18H17N3OS — CID 86977437

IUPAC3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C18H17N3OS/c1-14-6-10-23-17(14)18(22)21(12-15-4-8-19-9-5-15)13-16-3-2-7-20-11-16/h2-11H,12-13H2,1H3
InChIKeyBTCAEOGGKFNYMJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.69
Rot. Bonds5

About 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 86977437) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID86977437
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C18H17N3OS/c1-14-6-10-23-17(14)18(22)21(12-15-4-8-19-9-5-15)13-16-3-2-7-20-11-16/h2-11H,12-13H2,1H3
InChIKeyBTCAEOGGKFNYMJ-UHFFFAOYSA-N
XLogP3.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiophen-2-yl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792019
3-methyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 42433213
3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 45222109
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 29107091
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 56789484
2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 126809690
2-butyl-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55982085
2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 86977437) is 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BTCAEOGGKFNYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14-6-10-23-17(14)18(22)21(12-15-4-8-19-9-5-15)13-16-3-2-7-20-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 86977437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).