4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C19H16N4O2S — CID 97407182

IUPAC4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C19H16N4O2S/c24-18(22-12-14-5-1-2-8-21-14)17-10-15-16(26-17)6-9-23(15)19(25)13-4-3-7-20-11-13/h1-5,7-8,10-11H,6,9,12H2,(H,22,24)
InChIKeyJIFBQWZNWHPIPL-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.67
Rot. Bonds4

About 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97407182) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97407182
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C19H16N4O2S/c24-18(22-12-14-5-1-2-8-21-14)17-10-15-16(26-17)6-9-23(15)19(25)13-4-3-7-20-11-13/h1-5,7-8,10-11H,6,9,12H2,(H,22,24)
InChIKeyJIFBQWZNWHPIPL-UHFFFAOYSA-N
XLogP2.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97407182) is 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)c1cccnc1.
What is the InChIKey of 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is JIFBQWZNWHPIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-18(22-12-14-5-1-2-8-21-14)17-10-15-16(26-17)6-9-23(15)19(25)13-4-3-7-20-11-13/h1-5,7-8,10-11H,6,9,12H2,(H,22,24).
What are the key properties of 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97407182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).