3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide

C17H16N4O2S — CID 129257422

IUPAC3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(O)cc2)sc2nc3c(cc12)CNCC3
InChIInChI=1S/C17H16N4O2S/c18-14-12-7-9-8-19-6-5-13(9)21-17(12)24-15(14)16(23)20-10-1-3-11(22)4-2-10/h1-4,7,19,22H,5-6,8,18H2,(H,20,23)
InChIKeyHDIPIGSYSPXMNI-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 129257422) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID129257422
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(O)cc2)sc2nc3c(cc12)CNCC3
InChIInChI=1S/C17H16N4O2S/c18-14-12-7-9-8-19-6-5-13(9)21-17(12)24-15(14)16(23)20-10-1-3-11(22)4-2-10/h1-4,7,19,22H,5-6,8,18H2,(H,20,23)
InChIKeyHDIPIGSYSPXMNI-UHFFFAOYSA-N
XLogP2.48
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 129257422) is 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(O)cc2)sc2nc3c(cc12)CNCC3.
What is the InChIKey of 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is HDIPIGSYSPXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-14-12-7-9-8-19-6-5-13(9)21-17(12)24-15(14)16(23)20-10-1-3-11(22)4-2-10/h1-4,7,19,22H,5-6,8,18H2,(H,20,23).
What are the key properties of 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 129257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).