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

C22H23N5O2S — CID 8984175

IUPAC3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23N5O2S/c1-12-11-13(2)24-22-18(12)19(23)20(30-22)21(29)26-25-14(3)15-6-8-16(9-7-15)27-10-4-5-17(27)28/h6-9,11H,4-5,10,23H2,1-3H3,(H,26,29)/b25-14-
InChIKeyPYPBEVXQLWABQO-QFEZKATASA-N
MW421.53 g/mol
LogP3.78
Rot. Bonds4

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

3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 8984175) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID8984175
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23N5O2S/c1-12-11-13(2)24-22-18(12)19(23)20(30-22)21(29)26-25-14(3)15-6-8-16(9-7-15)27-10-4-5-17(27)28/h6-9,11H,4-5,10,23H2,1-3H3,(H,26,29)/b25-14-
InChIKeyPYPBEVXQLWABQO-QFEZKATASA-N
XLogP3.78
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
CID 8862793
3-amino-N-[2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 2816772
4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5406284
2-amino-4-methyl-N-[1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 71899022
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 45327860
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide (CID 8984175) is 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide is C/C(=N/NC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PYPBEVXQLWABQO-QFEZKATASA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-12-11-13(2)24-22-18(12)19(23)20(30-22)21(29)26-25-14(3)15-6-8-16(9-7-15)27-10-4-5-17(27)28/h6-9,11H,4-5,10,23H2,1-3H3,(H,26,29)/b25-14-.
What are the key properties of 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 8984175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).