N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

C21H23N5O2S — CID 53324318

IUPACN-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C21H23N5O2S/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17-
InChIKeyOTAZXBMUBQGRTC-UQQQWYQISA-N
MW409.52 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 53324318) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID53324318
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C21H23N5O2S/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17-
InChIKeyOTAZXBMUBQGRTC-UQQQWYQISA-N
XLogP3.46
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 53320305
(E)-ethyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate
CID 53324483
(E)-1-(3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridin-2-yl)butan-1-one
CID 53325830
3-amino-6-methyl-N-[2-(2-methyl-4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311048
3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155554615
7-[(3,4-dimethylphenyl)amino]-6-(thien-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 16195409
3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide
CID 155566799
N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 172991062
3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;hydrochloride
CID 155566798
N-{2-[3-({[(2,3-Dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-YL]ethyl}thiophene-2-carboxamide
CID 5211085
N-[(2-Methylphenyl)methyl]-1-[3-(1H-pyrrol-1-YL)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 20886078
N-Ethyl-3-(1H-pyrrol-1-YL)thieno[2,3-C]pyridine-2-carboxamide
CID 53015559

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (CID 53324318) is N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is CN(C)CCNC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is OTAZXBMUBQGRTC-UQQQWYQISA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17-.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53324318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).