2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C19H19N3OS — CID 1441127

IUPAC2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncccc2C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-13-7-8-17(14(2)11-13)22-18-16(6-3-9-20-18)19(23)21-12-15-5-4-10-24-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMNUHKAJKYNRNSN-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.43
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1441127) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1441127
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncccc2C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-13-7-8-17(14(2)11-13)22-18-16(6-3-9-20-18)19(23)21-12-15-5-4-10-24-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMNUHKAJKYNRNSN-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1441127) is 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(Nc2ncccc2C(=O)NCc2cccs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MNUHKAJKYNRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-7-8-17(14(2)11-13)22-18-16(6-3-9-20-18)19(23)21-12-15-5-4-10-24-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1441127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).