1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C16H15N3OS — CID 53159773

IUPAC1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1cccs1
InChIInChI=1S/C16H15N3OS/c1-19-11-13(12-4-6-17-7-5-12)9-15(19)16(20)18-10-14-3-2-8-21-14/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyRESBPNGBBXJHFY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.08
Rot. Bonds4

About 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 53159773) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID53159773
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1cccs1
InChIInChI=1S/C16H15N3OS/c1-19-11-13(12-4-6-17-7-5-12)9-15(19)16(20)18-10-14-3-2-8-21-14/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyRESBPNGBBXJHFY-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 53159773) is 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(=O)NCc1cccs1.
What is the InChIKey of 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RESBPNGBBXJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-11-13(12-4-6-17-7-5-12)9-15(19)16(20)18-10-14-3-2-8-21-14/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53159773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).