5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

C18H14N4O2S — CID 74013405

IUPAC5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESO=C1Nc2sc(C(=O)NCc3ccccn3)cc2C1=Cc1ccc[nH]1
InChIInChI=1S/C18H14N4O2S/c23-16-13(8-11-5-3-7-19-11)14-9-15(25-18(14)22-16)17(24)21-10-12-4-1-2-6-20-12/h1-9,19H,10H2,(H,21,24)(H,22,23)
InChIKeyBJMUTNNSPOSAKO-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.89
Rot. Bonds4

About 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (PubChem CID 74013405) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
PubChem CID74013405
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESO=C1Nc2sc(C(=O)NCc3ccccn3)cc2C1=Cc1ccc[nH]1
InChIInChI=1S/C18H14N4O2S/c23-16-13(8-11-5-3-7-19-11)14-9-15(25-18(14)22-16)17(24)21-10-12-4-1-2-6-20-12/h1-9,19H,10H2,(H,21,24)(H,22,23)
InChIKeyBJMUTNNSPOSAKO-UHFFFAOYSA-N
XLogP2.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 59043157
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
3-[5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 72539067
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3627109
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
CID 66556399
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The IUPAC name of 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (CID 74013405) is 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The canonical SMILES for 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is O=C1Nc2sc(C(=O)NCc3ccccn3)cc2C1=Cc1ccc[nH]1.
What is the InChIKey of 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The InChIKey is BJMUTNNSPOSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-16-13(8-11-5-3-7-19-11)14-9-15(25-18(14)22-16)17(24)21-10-12-4-1-2-6-20-12/h1-9,19H,10H2,(H,21,24)(H,22,23).
What are the key properties of 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 74013405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).