N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C17H20N6O — CID 119069157

IUPACN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)N2CCc3c([nH]c4ccccc34)C2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-17(24)23-8-7-13-12-5-3-4-6-14(12)20-15(13)9-23/h3-6,10,20H,7-9H2,1-2H3,(H,18,24)(H,19,21,22)
InChIKeyZMTWNRZQEUDCDE-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.42
Rot. Bonds2

About N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 119069157) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID119069157
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)N2CCc3c([nH]c4ccccc34)C2)n[nH]1
InChIInChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-17(24)23-8-7-13-12-5-3-4-6-14(12)20-15(13)9-23/h3-6,10,20H,7-9H2,1-2H3,(H,18,24)(H,19,21,22)
InChIKeyZMTWNRZQEUDCDE-UHFFFAOYSA-N
XLogP2.42
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 46997789
N-(5-fluoro-2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23935329
N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 127253642
6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 113090116
7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid
CID 175359468
N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
CID 23113540
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
N-(4-methoxyphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
CID 23113593
N-[2-(3-hydroxyanilino)-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506966
6-(2,5-dimethylpyrrol-1-yl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)hexan-1-one
CID 110207363
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
N-(3-morpholin-4-yl-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42534245

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 119069157) is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is Cc1nc(C(C)NC(=O)N2CCc3c([nH]c4ccccc34)C2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is ZMTWNRZQEUDCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10(16-19-11(2)21-22-16)18-17(24)23-8-7-13-12-5-3-4-6-14(12)20-15(13)9-23/h3-6,10,20H,7-9H2,1-2H3,(H,18,24)(H,19,21,22).
What are the key properties of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 119069157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).