N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C19H19N3O2 — CID 23113600

IUPACN-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H19N3O2/c1-24-18-9-5-4-8-16(18)21-19(23)22-11-10-14-13-6-2-3-7-15(13)20-17(14)12-22/h2-9,20H,10-12H2,1H3,(H,21,23)
InChIKeyNXMFAVPOECDWOS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds2

About N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 23113600) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID23113600
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H19N3O2/c1-24-18-9-5-4-8-16(18)21-19(23)22-11-10-14-13-6-2-3-7-15(13)20-17(14)12-22/h2-9,20H,10-12H2,1H3,(H,21,23)
InChIKeyNXMFAVPOECDWOS-UHFFFAOYSA-N
XLogP3.77
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 489662
8-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
CID 14355088
3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 10530035
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427
1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
1-[4-(2-Methoxyphenyl)piperazino]-3-[2-[4-(trifluoromethyl)phenyl]-5-methyl-1H-indole-3-yl]-1-propanone
CID 18669059
1-{3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-oxopropyl}-4-(2-methoxyphenyl)piperazine
CID 18669082
3-[2-(4-Isopropyl-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 18669097
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 23113600) is N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is COc1ccccc1NC(=O)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is NXMFAVPOECDWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-9-5-4-8-16(18)21-19(23)22-11-10-14-13-6-2-3-7-15(13)20-17(14)12-22/h2-9,20H,10-12H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 23113600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).