6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C18H17N3O2S — CID 1447974

IUPAC6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCc2cccs2)cn1
InChIInChI=1S/C18H17N3O2S/c1-23-16-7-3-2-6-15(16)21-17-9-8-13(11-19-17)18(22)20-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyNFWFDJCQUGORRQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.83
Rot. Bonds6

About 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1447974) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1447974
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)NCc2cccs2)cn1
InChIInChI=1S/C18H17N3O2S/c1-23-16-7-3-2-6-15(16)21-17-9-8-13(11-19-17)18(22)20-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyNFWFDJCQUGORRQ-UHFFFAOYSA-N
XLogP3.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1447974) is 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)NCc2cccs2)cn1.
What is the InChIKey of 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NFWFDJCQUGORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-16-7-3-2-6-15(16)21-17-9-8-13(11-19-17)18(22)20-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1447974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).