N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide

C23H21N3O — CID 70031753

IUPACN-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CNCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H21N3O/c27-23(26-20-11-5-7-15-6-1-2-8-16(15)20)19-14-24-13-12-18-17-9-3-4-10-21(17)25-22(18)19/h1-11,19,24-25H,12-14H2,(H,26,27)
InChIKeyBOZUUDXCOIKBDY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.19
Rot. Bonds2

About N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide

N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide (PubChem CID 70031753) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
PubChem CID70031753
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CNCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H21N3O/c27-23(26-20-11-5-7-15-6-1-2-8-16(15)20)19-14-24-13-12-18-17-9-3-4-10-21(17)25-22(18)19/h1-11,19,24-25H,12-14H2,(H,26,27)
InChIKeyBOZUUDXCOIKBDY-UHFFFAOYSA-N
XLogP4.19
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide with MolForge

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Related Compounds

methyl (5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
CID 71768206
N-benzyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 151401798
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 66641029
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
CID 79345565
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 101454798
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
CID 79872878
ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 6500339
N-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 70041117

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide (CID 70031753) is N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide is O=C(Nc1cccc2ccccc12)C1CNCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide?
The InChIKey is BOZUUDXCOIKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-23(26-20-11-5-7-15-6-1-2-8-16(15)20)19-14-24-13-12-18-17-9-3-4-10-21(17)25-22(18)19/h1-11,19,24-25H,12-14H2,(H,26,27).
What are the key properties of N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide?
N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide is sourced from PubChem (CID 70031753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).