2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H18N4OS — CID 135688244

IUPAC2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C18H18N4OS/c1-22-7-6-13-15(10-22)24-18(16(13)17(19)23)21-9-11-8-20-14-5-3-2-4-12(11)14/h2-5,8-9,20H,6-7,10H2,1H3,(H2,19,23)/b21-9+
InChIKeyUVLUETGYXKQLMD-ZVBGSRNCSA-N
MW338.44 g/mol
LogP3.07
Rot. Bonds3

About 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 135688244) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID135688244
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C18H18N4OS/c1-22-7-6-13-15(10-22)24-18(16(13)17(19)23)21-9-11-8-20-14-5-3-2-4-12(11)14/h2-5,8-9,20H,6-7,10H2,1H3,(H2,19,23)/b21-9+
InChIKeyUVLUETGYXKQLMD-ZVBGSRNCSA-N
XLogP3.07
TPSA74.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-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

Tryptamide
CID 65768
N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
Benzothienopyrimidinone deriv., 15b
CID 135927961
13-(4-Methylphenyl)-10-thia-3,8,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659645
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
N'-[(5-ethyl-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 5342196
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 168268899

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 135688244) is 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1.
What is the InChIKey of 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is UVLUETGYXKQLMD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22-7-6-13-15(10-22)24-18(16(13)17(19)23)21-9-11-8-20-14-5-3-2-4-12(11)14/h2-5,8-9,20H,6-7,10H2,1H3,(H2,19,23)/b21-9+.
What are the key properties of 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-indol-3-ylmethylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 135688244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).