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

C18H14N3OPS2 — CID 170044369

IUPAC3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(P)cc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H14N3OPS2/c19-15-12-7-8-13(14-2-1-9-24-14)21-18(12)25-16(15)17(22)20-10-3-5-11(23)6-4-10/h1-9H,19,23H2,(H,20,22)
InChIKeyAZTFQNIBAIAXSZ-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.36
Rot. Bonds3

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

3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 170044369) has the molecular formula C18H14N3OPS2 and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID170044369
Molecular FormulaC18H14N3OPS2
Molecular Weight383.44 g/mol
Exact Mass383.03
IUPAC Name3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(P)cc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H14N3OPS2/c19-15-12-7-8-13(14-2-1-9-24-14)21-18(12)25-16(15)17(22)20-10-3-5-11(23)6-4-10/h1-9H,19,23H2,(H,20,22)
InChIKeyAZTFQNIBAIAXSZ-UHFFFAOYSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
4-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 54579808
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123187465
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 170044369) is 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(P)cc2)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AZTFQNIBAIAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N3OPS2/c19-15-12-7-8-13(14-2-1-9-24-14)21-18(12)25-16(15)17(22)20-10-3-5-11(23)6-4-10/h1-9H,19,23H2,(H,20,22).
What are the key properties of 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 170044369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).