4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide

C13H12N4O — CID 23035455

IUPAC4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide
SMILESCc1nc2[nH]c3ccccc3c2c(N)c1C(N)=O
InChIInChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)
InChIKeyVUPUXXZDZQFYJS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.71
Rot. Bonds1

About 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide

4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide (PubChem CID 23035455) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide
PubChem CID23035455
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide
SMILESCc1nc2[nH]c3ccccc3c2c(N)c1C(N)=O
InChIInChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)
InChIKeyVUPUXXZDZQFYJS-UHFFFAOYSA-N
XLogP1.71
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide (CID 23035455) is 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide is Cc1nc2[nH]c3ccccc3c2c(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is VUPUXXZDZQFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17).
What are the key properties of 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide?
4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 23035455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).