6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide

C20H19N3O2 — CID 18794229

IUPAC6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide
SMILESC=C1c2[nH]c3ccc(OC)cc3c2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O2/c1-13-19-16(17-12-15(25-2)8-9-18(17)22-19)10-11-23(13)20(24)21-14-6-4-3-5-7-14/h3-9,12,22H,1,10-11H2,2H3,(H,21,24)
InChIKeyAQMZVJWIFKGECL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.24
Rot. Bonds2

About 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide

6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide (PubChem CID 18794229) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide
PubChem CID18794229
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide
SMILESC=C1c2[nH]c3ccc(OC)cc3c2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O2/c1-13-19-16(17-12-15(25-2)8-9-18(17)22-19)10-11-23(13)20(24)21-14-6-4-3-5-7-14/h3-9,12,22H,1,10-11H2,2H3,(H,21,24)
InChIKeyAQMZVJWIFKGECL-UHFFFAOYSA-N
XLogP4.24
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-6-methoxy-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759128
6-methoxy-N-(4-phenoxyphenyl)-1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23113767
(1R)-6-methoxy-1-(4-nitrophenyl)-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42556378
3-acetyl-9-methoxy-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid
CID 152636602
(Z)-3-hydroxy-1-(7-methoxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-methylbut-2-en-1-one
CID 54751084
6-methoxy-N-(3-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759130
6-methoxy-1-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920946
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
N-(3-fluorophenyl)-1-(4-fluorophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50744377
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide (CID 18794229) is 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide is C=C1c2[nH]c3ccc(OC)cc3c2CCN1C(=O)Nc1ccccc1.
What is the InChIKey of 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide?
The InChIKey is AQMZVJWIFKGECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-19-16(17-12-15(25-2)8-9-18(17)22-19)10-11-23(13)20(24)21-14-6-4-3-5-7-14/h3-9,12,22H,1,10-11H2,2H3,(H,21,24).
What are the key properties of 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide?
6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylidene-N-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 18794229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).