4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid

C14H13N3O2 — CID 15154321

IUPAC4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
SMILESCc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C
InChIInChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyUHUIHZUAXXSBKE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.32
Rot. Bonds1

About 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid

4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid (PubChem CID 15154321) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
PubChem CID15154321
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
SMILESCc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C
InChIInChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyUHUIHZUAXXSBKE-UHFFFAOYSA-N
XLogP2.32
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid?
The IUPAC name of 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid (CID 15154321) is 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid?
The canonical SMILES for 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid is Cc1nc2c(c(N)c1C(=O)O)c1ccccc1n2C.
What is the InChIKey of 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid?
The InChIKey is UHUIHZUAXXSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19).
What are the key properties of 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid?
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid is sourced from PubChem (CID 15154321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).