9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide

C17H13N3O2 — CID 77105817

IUPAC9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(C(N)=O)c21
InChIInChI=1S/C17H13N3O2/c1-22-10-2-3-12-14(7-10)20-16-11-4-5-19-8-9(11)6-13(15(12)16)17(18)21/h2-8,20H,1H3,(H2,18,21)
InChIKeyMWBWBNKXYNJCMP-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.98
Rot. Bonds2

About 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide

9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide (PubChem CID 77105817) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide.

Molecular Properties

Compound Name9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
PubChem CID77105817
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(C(N)=O)c21
InChIInChI=1S/C17H13N3O2/c1-22-10-2-3-12-14(7-10)20-16-11-4-5-19-8-9(11)6-13(15(12)16)17(18)21/h2-8,20H,1H3,(H2,18,21)
InChIKeyMWBWBNKXYNJCMP-UHFFFAOYSA-N
XLogP2.98
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The IUPAC name of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide (CID 77105817) is 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide.
What is the SMILES notation for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The canonical SMILES for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide is COc1ccc2c(c1)[nH]c1c3ccncc3cc(C(N)=O)c21.
What is the InChIKey of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
The InChIKey is MWBWBNKXYNJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-10-2-3-12-14(7-10)20-16-11-4-5-19-8-9(11)6-13(15(12)16)17(18)21/h2-8,20H,1H3,(H2,18,21).
What are the key properties of 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide?
9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carboxamide is sourced from PubChem (CID 77105817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).