1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole

C18H15N3 — CID 156780758

IUPAC1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(Cc3cccnc3)c12
InChIInChI=1S/C18H15N3/c1-13-18-16(8-10-20-13)15-6-2-3-7-17(15)21(18)12-14-5-4-9-19-11-14/h2-11H,12H2,1H3
InChIKeyVKSARRBQJCBNKO-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.94
Rot. Bonds2

About 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole

1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole (PubChem CID 156780758) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
PubChem CID156780758
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(Cc3cccnc3)c12
InChIInChI=1S/C18H15N3/c1-13-18-16(8-10-20-13)15-6-2-3-7-17(15)21(18)12-14-5-4-9-19-11-14/h2-11H,12H2,1H3
InChIKeyVKSARRBQJCBNKO-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
CID 17039129
4-[(1-methylpyrido[3,4-b]indol-9-yl)methyl]benzoic acid
CID 143936876
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
CID 144721935
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
1-(6-methyl-3-pyridinyl)-9-[12-[1-(6-methyl-3-pyridinyl)pyrido[3,4-b]indol-9-yl]dodecyl]pyrido[3,4-b]indole
CID 71539238
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
9-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)pyrido[3,4-b]indole
CID 175287201
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine
CID 103964383
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole (CID 156780758) is 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(Cc3cccnc3)c12.
What is the InChIKey of 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole?
The InChIKey is VKSARRBQJCBNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-18-16(8-10-20-13)15-6-2-3-7-17(15)21(18)12-14-5-4-9-19-11-14/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole?
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole has a molecular weight of 273.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 156780758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).