3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide

C20H18N6OS — CID 8984176

IUPAC3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N/N=C\c3cnn(-c4ccccc4)c3)sc2n1
InChIInChI=1S/C20H18N6OS/c1-12-8-13(2)24-20-16(12)17(21)18(28-20)19(27)25-22-9-14-10-23-26(11-14)15-6-4-3-5-7-15/h3-11H,21H2,1-2H3,(H,25,27)/b22-9-
InChIKeyUEEZJYCQAGVAFO-AFPJDJCSSA-N
MW390.47 g/mol
LogP3.44
Rot. Bonds4

About 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 8984176) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID8984176
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N/N=C\c3cnn(-c4ccccc4)c3)sc2n1
InChIInChI=1S/C20H18N6OS/c1-12-8-13(2)24-20-16(12)17(21)18(28-20)19(27)25-22-9-14-10-23-26(11-14)15-6-4-3-5-7-15/h3-11H,21H2,1-2H3,(H,25,27)/b22-9-
InChIKeyUEEZJYCQAGVAFO-AFPJDJCSSA-N
XLogP3.44
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(E)-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 54587168
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 10644926
N-[(3,4-dichlorophenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132016
(5S)-5-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8981405
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324291
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (CID 8984176) is 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)N/N=C\c3cnn(-c4ccccc4)c3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UEEZJYCQAGVAFO-AFPJDJCSSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-12-8-13(2)24-20-16(12)17(21)18(28-20)19(27)25-22-9-14-10-23-26(11-14)15-6-4-3-5-7-15/h3-11H,21H2,1-2H3,(H,25,27)/b22-9-.
What are the key properties of 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 8984176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).