1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide

C16H11N3OS — CID 10541746

IUPAC1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccsc2)n1
InChIInChI=1S/C16H11N3OS/c17-16(20)13-7-11-10-3-1-2-4-12(10)18-15(11)14(19-13)9-5-6-21-8-9/h1-8,18H,(H2,17,20)
InChIKeyNTLDPHVLGSXFAR-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.54
Rot. Bonds2

About 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide

1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 10541746) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID10541746
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccsc2)n1
InChIInChI=1S/C16H11N3OS/c17-16(20)13-7-11-10-3-1-2-4-12(10)18-15(11)14(19-13)9-5-6-21-8-9/h1-8,18H,(H2,17,20)
InChIKeyNTLDPHVLGSXFAR-UHFFFAOYSA-N
XLogP3.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
methyl 1-thiophen-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10590918
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
1-[4-(4-methylsulfonylphenyl)phenyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 176780707
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 10541746) is 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide is NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccsc2)n1.
What is the InChIKey of 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is NTLDPHVLGSXFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-16(20)13-7-11-10-3-1-2-4-12(10)18-15(11)14(19-13)9-5-6-21-8-9/h1-8,18H,(H2,17,20).
What are the key properties of 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 10541746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).