3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

C27H19N5OS — CID 139267566

IUPAC3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C27H19N5OS/c1-32(20-15-9-4-10-16-20)27(33)25-24(30-31-28)23-21(18-11-5-2-6-12-18)17-22(29-26(23)34-25)19-13-7-3-8-14-19/h2-17H,1H3
InChIKeyKQEDRZFDVVHKLO-UHFFFAOYSA-N
MW461.55 g/mol
LogP7.85
Rot. Bonds5

About 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide

3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 139267566) has the molecular formula C27H19N5OS and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID139267566
Molecular FormulaC27H19N5OS
Molecular Weight461.55 g/mol
Exact Mass461.13
IUPAC Name3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C27H19N5OS/c1-32(20-15-9-4-10-16-20)27(33)25-24(30-31-28)23-21(18-11-5-2-6-12-18)17-22(29-26(23)34-25)19-13-7-3-8-14-19/h2-17H,1H3
InChIKeyKQEDRZFDVVHKLO-UHFFFAOYSA-N
XLogP7.85
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 110193712
2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
CID 39071360
3-amino-4-(furan-2-yl)-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 139267604
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
3-(2,2-dimethylpropanoylamino)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 16762626
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
CID 163918979
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide (CID 139267566) is 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is CN(C(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N=[N+]=[N-])c1ccccc1.
What is the InChIKey of 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KQEDRZFDVVHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5OS/c1-32(20-15-9-4-10-16-20)27(33)25-24(30-31-28)23-21(18-11-5-2-6-12-18)17-22(29-26(23)34-25)19-13-7-3-8-14-19/h2-17H,1H3.
What are the key properties of 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide?
3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 139267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).