N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide

C17H14N2O2S — CID 46388646

IUPACN-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1
InChIInChI=1S/C17H14N2O2S/c1-21-13-8-6-12(7-9-13)19-17(20)14-4-2-10-18-16(14)15-5-3-11-22-15/h2-11H,1H3,(H,19,20)
InChIKeyBEGOAUKQMFQLBT-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.07
Rot. Bonds4

About N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide

N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 46388646) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide
PubChem CID46388646
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1
InChIInChI=1S/C17H14N2O2S/c1-21-13-8-6-12(7-9-13)19-17(20)14-4-2-10-18-16(14)15-5-3-11-22-15/h2-11H,1H3,(H,19,20)
InChIKeyBEGOAUKQMFQLBT-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide (CID 46388646) is N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is BEGOAUKQMFQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-13-8-6-12(7-9-13)19-17(20)14-4-2-10-18-16(14)15-5-3-11-22-15/h2-11H,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46388646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).