3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C19H13ClN4OS — CID 4961339

IUPAC3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)
InChIKeyKWJACDFDNBCEHS-UHFFFAOYSA-N
MW380.86 g/mol
LogP4.85
Rot. Bonds3

About 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 4961339) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID4961339
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC Name3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)
InChIKeyKWJACDFDNBCEHS-UHFFFAOYSA-N
XLogP4.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16118680
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CID 16659643
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3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 4961339) is 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWJACDFDNBCEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25).
What are the key properties of 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 380.86 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chlorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 4961339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).