1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide

C21H17N3OS — CID 166200837

IUPAC1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccsc2)cc1)c1cccn1Cc1cccnc1
InChIInChI=1S/C21H17N3OS/c25-21(20-4-2-11-24(20)14-16-3-1-10-22-13-16)23-19-7-5-17(6-8-19)18-9-12-26-15-18/h1-13,15H,14H2,(H,23,25)
InChIKeyLPYAXCYIRUAOKZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.91
Rot. Bonds5

About 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide

1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide (PubChem CID 166200837) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide
PubChem CID166200837
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccsc2)cc1)c1cccn1Cc1cccnc1
InChIInChI=1S/C21H17N3OS/c25-21(20-4-2-11-24(20)14-16-3-1-10-22-13-16)23-19-7-5-17(6-8-19)18-9-12-26-15-18/h1-13,15H,14H2,(H,23,25)
InChIKeyLPYAXCYIRUAOKZ-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 75371666
1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879297
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71889112
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694930
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide (CID 166200837) is 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(-c2ccsc2)cc1)c1cccn1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is LPYAXCYIRUAOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-21(20-4-2-11-24(20)14-16-3-1-10-22-13-16)23-19-7-5-17(6-8-19)18-9-12-26-15-18/h1-13,15H,14H2,(H,23,25).
What are the key properties of 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide?
1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 166200837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).