4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide

C15H15N3O3 — CID 15213498

IUPAC4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1ncc2c(c1O)c1ccccc1n2COC
InChIInChI=1S/C15H15N3O3/c1-16-15(20)13-14(19)12-9-5-3-4-6-10(9)18(8-21-2)11(12)7-17-13/h3-7,19H,8H2,1-2H3,(H,16,20)
InChIKeyIBZBPLGRJNMTMG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.86
Rot. Bonds3

About 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide

4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide (PubChem CID 15213498) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide
PubChem CID15213498
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1ncc2c(c1O)c1ccccc1n2COC
InChIInChI=1S/C15H15N3O3/c1-16-15(20)13-14(19)12-9-5-3-4-6-10(9)18(8-21-2)11(12)7-17-13/h3-7,19H,8H2,1-2H3,(H,16,20)
InChIKeyIBZBPLGRJNMTMG-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide (CID 15213498) is 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide is CNC(=O)c1ncc2c(c1O)c1ccccc1n2COC.
What is the InChIKey of 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide?
The InChIKey is IBZBPLGRJNMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-15(20)13-14(19)12-9-5-3-4-6-10(9)18(8-21-2)11(12)7-17-13/h3-7,19H,8H2,1-2H3,(H,16,20).
What are the key properties of 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide?
4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 15213498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).