2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

C17H15N3OS — CID 53199668

IUPAC2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)ccn2)s1
InChIInChI=1S/C17H15N3OS/c1-12-5-6-16(22-12)15-10-13(7-9-19-15)17(21)20-11-14-4-2-3-8-18-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUDVYLPHATIVNEF-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.44
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 53199668) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID53199668
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)ccn2)s1
InChIInChI=1S/C17H15N3OS/c1-12-5-6-16(22-12)15-10-13(7-9-19-15)17(21)20-11-14-4-2-3-8-18-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUDVYLPHATIVNEF-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171655
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 53199668) is 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccn3)ccn2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UDVYLPHATIVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-5-6-16(22-12)15-10-13(7-9-19-15)17(21)20-11-14-4-2-3-8-18-14/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 53199668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).