4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide

C24H27BrN4O2S — CID 110193624

IUPAC4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1/N=C/N1CCOCC1
InChIInChI=1S/C24H27BrN4O2S/c1-4-29(5-2)24(30)22-21(26-15-28-10-12-31-13-11-28)20-19(14-16(3)27-23(20)32-22)17-6-8-18(25)9-7-17/h6-9,14-15H,4-5,10-13H2,1-3H3/b26-15+
InChIKeyFVJUCMUIKJKHMZ-CVKSISIWSA-N
MW515.48 g/mol
LogP5.51
Rot. Bonds6

About 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide

4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110193624) has the molecular formula C24H27BrN4O2S and a molecular weight of 515.48 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110193624
Molecular FormulaC24H27BrN4O2S
Molecular Weight515.48 g/mol
Exact Mass514.10
IUPAC Name4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1/N=C/N1CCOCC1
InChIInChI=1S/C24H27BrN4O2S/c1-4-29(5-2)24(30)22-21(26-15-28-10-12-31-13-11-28)20-19(14-16(3)27-23(20)32-22)17-6-8-18(25)9-7-17/h6-9,14-15H,4-5,10-13H2,1-3H3/b26-15+
InChIKeyFVJUCMUIKJKHMZ-CVKSISIWSA-N
XLogP5.51
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 14510427
propan-2-yl 4-(4-bromophenyl)-6-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylate
CID 10028926
6-(4-bromophenyl)-3-(dimethylaminomethylideneamino)-N,N-diethyl-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110193488
4-(4-chlorophenyl)-6-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid;piperidine
CID 110193590
propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10342251
4-(4-bromophenyl)-3-[[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]amino]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10411997
3-amino-N,N-diethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 743752
4-(4-fluorophenyl)-6-methyl-3-(propan-2-ylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 110193583
4-methyl-3-(1-morpholin-4-ylpropylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10409250
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 71886930
morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 110193712
ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
CID 10408253

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide (CID 110193624) is 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1/N=C/N1CCOCC1.
What is the InChIKey of 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FVJUCMUIKJKHMZ-CVKSISIWSA-N. The full InChI is InChI=1S/C24H27BrN4O2S/c1-4-29(5-2)24(30)22-21(26-15-28-10-12-31-13-11-28)20-19(14-16(3)27-23(20)32-22)17-6-8-18(25)9-7-17/h6-9,14-15H,4-5,10-13H2,1-3H3/b26-15+.
What are the key properties of 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide?
4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 515.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110193624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).