4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid

C40H30N8O5S2 — CID 157228312

IUPAC4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid
SMILESNC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1.NC(=O)c1cc2c(-c3cccc(NC(=O)c4ccncc4)c3)cncc2s1.O=C(O)c1ccncc1
InChIInChI=1S/C20H14N4O2S.C14H11N3OS.C6H5NO2/c21-19(25)17-9-15-16(10-23-11-18(15)27-17)13-2-1-3-14(8-13)24-20(26)12-4-6-22-7-5-12;15-9-3-1-2-8(4-9)11-6-17-7-13-10(11)5-12(19-13)14(16)18;8-6(9)5-1-3-7-4-2-5/h1-11H,(H2,21,25)(H,24,26);1-7H,15H2,(H2,16,18);1-4H,(H,8,9)
InChIKeyATUSAWPAEHXODK-UHFFFAOYSA-N
MW766.87 g/mol
LogP7.13
Rot. Bonds7

About 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid

4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid (PubChem CID 157228312) has the molecular formula C40H30N8O5S2 and a molecular weight of 766.87 g/mol. Its IUPAC name is 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid
PubChem CID157228312
Molecular FormulaC40H30N8O5S2
Molecular Weight766.87 g/mol
Exact Mass766.18
IUPAC Name4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid
SMILESNC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1.NC(=O)c1cc2c(-c3cccc(NC(=O)c4ccncc4)c3)cncc2s1.O=C(O)c1ccncc1
InChIInChI=1S/C20H14N4O2S.C14H11N3OS.C6H5NO2/c21-19(25)17-9-15-16(10-23-11-18(15)27-17)13-2-1-3-14(8-13)24-20(26)12-4-6-22-7-5-12;15-9-3-1-2-8(4-9)11-6-17-7-13-10(11)5-12(19-13)14(16)18;8-6(9)5-1-3-7-4-2-5/h1-11H,(H2,21,25)(H,24,26);1-7H,15H2,(H2,16,18);1-4H,(H,8,9)
InChIKeyATUSAWPAEHXODK-UHFFFAOYSA-N
XLogP7.13
TPSA230.16 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.87
LogP ≤ 57.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid?
The IUPAC name of 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid (CID 157228312) is 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid.
What is the SMILES notation for 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid?
The canonical SMILES for 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid is NC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1.NC(=O)c1cc2c(-c3cccc(NC(=O)c4ccncc4)c3)cncc2s1.O=C(O)c1ccncc1.
What is the InChIKey of 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid?
The InChIKey is ATUSAWPAEHXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S.C14H11N3OS.C6H5NO2/c21-19(25)17-9-15-16(10-23-11-18(15)27-17)13-2-1-3-14(8-13)24-20(26)12-4-6-22-7-5-12;15-9-3-1-2-8(4-9)11-6-17-7-13-10(11)5-12(19-13)14(16)18;8-6(9)5-1-3-7-4-2-5/h1-11H,(H2,21,25)(H,24,26);1-7H,15H2,(H2,16,18);1-4H,(H,8,9).
What are the key properties of 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid?
4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid has a molecular weight of 766.87 g/mol, XLogP of 7.13, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxamide;4-[3-(pyridine-4-carbonylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide;pyridine-4-carboxylic acid is sourced from PubChem (CID 157228312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).