N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide

C19H19N3O — CID 23113540

IUPACN-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H19N3O/c23-19(20-14-7-2-1-3-8-14)22-12-6-10-16-15-9-4-5-11-17(15)21-18(16)13-22/h1-5,7-9,11,21H,6,10,12-13H2,(H,20,23)
InChIKeyVBPAKPBYEBXBIV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.15
Rot. Bonds1

About N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide

N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide (PubChem CID 23113540) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
PubChem CID23113540
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H19N3O/c23-19(20-14-7-2-1-3-8-14)22-12-6-10-16-15-9-4-5-11-17(15)21-18(16)13-22/h1-5,7-9,11,21H,6,10,12-13H2,(H,20,23)
InChIKeyVBPAKPBYEBXBIV-UHFFFAOYSA-N
XLogP4.15
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
CID 23113593
3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid
CID 175852377
N-(5-fluoro-2-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23935329
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 46997789
N-[2-(3-hydroxyanilino)-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506966
7-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonylamino)heptanoic acid
CID 175359468
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 27029223
(1R)-1-methyl-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 975742
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide
CID 19006871
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide?
The IUPAC name of N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide (CID 23113540) is N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide is O=C(Nc1ccccc1)N1CCCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide?
The InChIKey is VBPAKPBYEBXBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(20-14-7-2-1-3-8-14)22-12-6-10-16-15-9-4-5-11-17(15)21-18(16)13-22/h1-5,7-9,11,21H,6,10,12-13H2,(H,20,23).
What are the key properties of N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide?
N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 23113540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).