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

C27H22N4O3S — CID 155805314

IUPAC3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)cc1OC
InChIInChI=1S/C27H22N4O3S/c1-33-21-11-10-16(13-22(21)34-2)19-14-20(17-7-6-12-29-15-17)31-27-23(19)24(28)25(35-27)26(32)30-18-8-4-3-5-9-18/h3-15H,28H2,1-2H3,(H,30,32)
InChIKeyDBXUFAVBQNUZCP-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.88
Rot. Bonds6

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

3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155805314) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155805314
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Name3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)cc1OC
InChIInChI=1S/C27H22N4O3S/c1-33-21-11-10-16(13-22(21)34-2)19-14-20(17-7-6-12-29-15-17)31-27-23(19)24(28)25(35-27)26(32)30-18-8-4-3-5-9-18/h3-15H,28H2,1-2H3,(H,30,32)
InChIKeyDBXUFAVBQNUZCP-UHFFFAOYSA-N
XLogP5.88
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (CID 155805314) is 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3cccnc3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)cc1OC.
What is the InChIKey of 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DBXUFAVBQNUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-33-21-11-10-16(13-22(21)34-2)19-14-20(17-7-6-12-29-15-17)31-27-23(19)24(28)25(35-27)26(32)30-18-8-4-3-5-9-18/h3-15H,28H2,1-2H3,(H,30,32).
What are the key properties of 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethoxyphenyl)-N-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155805314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).