(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C18H19N3 — CID 29002297

IUPAC(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C)n1
InChIInChI=1S/C18H19N3/c1-12-6-5-9-16(19-12)18-17-14(10-11-21(18)2)13-7-3-4-8-15(13)20-17/h3-9,18,20H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyCETPGQQYHXGYKZ-SFHVURJKSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds1

About (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 29002297) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID29002297
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C)n1
InChIInChI=1S/C18H19N3/c1-12-6-5-9-16(19-12)18-17-14(10-11-21(18)2)13-7-3-4-8-15(13)20-17/h3-9,18,20H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyCETPGQQYHXGYKZ-SFHVURJKSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyl-2-pyridinyl)-2-(quinoxalin-5-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45207763
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
(2,5-dimethylfuran-3-yl)-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 45224689
(2-chloro-4-pyridinyl)-[(1R)-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 42217301
1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 143848673
[5-(methoxymethyl)furan-2-yl]-[1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 45171661
3-(1,3-benzodioxol-5-yl)-1-[(1S)-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 42099883
[1-(2-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 45196114
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;ethane;prop-1-ene
CID 143848672
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 45174221

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 29002297) is (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C)n1.
What is the InChIKey of (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is CETPGQQYHXGYKZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-5-9-16(19-12)18-17-14(10-11-21(18)2)13-7-3-4-8-15(13)20-17/h3-9,18,20H,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 277.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 29002297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).