N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C19H14N4O2S — CID 50838614

IUPACN-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1
InChIInChI=1S/C19H14N4O2S/c20-17(24)12-5-7-13(8-6-12)22-18(25)16-15(23-10-1-2-11-23)14-4-3-9-21-19(14)26-16/h1-11H,(H2,20,24)(H,22,25)
InChIKeyUJJWNOVFVYWCTO-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.44
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 50838614) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID50838614
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1
InChIInChI=1S/C19H14N4O2S/c20-17(24)12-5-7-13(8-6-12)22-18(25)16-15(23-10-1-2-11-23)14-4-3-9-21-19(14)26-16/h1-11H,(H2,20,24)(H,22,25)
InChIKeyUJJWNOVFVYWCTO-UHFFFAOYSA-N
XLogP3.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899
pyrrolidin-1-yl-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 22577871
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 51661976
N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide
CID 171522179
N-[1-(1-adamantyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50800554
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 46353222
N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577904
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 58026319
(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 50800548

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 50838614) is N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UJJWNOVFVYWCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c20-17(24)12-5-7-13(8-6-12)22-18(25)16-15(23-10-1-2-11-23)14-4-3-9-21-19(14)26-16/h1-11H,(H2,20,24)(H,22,25).
What are the key properties of N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 50838614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).