2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide

C16H16N4O2 — CID 24900611

IUPAC2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
SMILESCC(C)C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C16H16N4O2/c1-8(2)16(22)20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20/h3-8H,1-2H3,(H2,17,19)(H2,18,21)
InChIKeyDEBAXFTVSXXYGA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide

2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 24900611) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
PubChem CID24900611
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
SMILESCC(C)C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C16H16N4O2/c1-8(2)16(22)20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20/h3-8H,1-2H3,(H2,17,19)(H2,18,21)
InChIKeyDEBAXFTVSXXYGA-UHFFFAOYSA-N
XLogP2.17
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide (CID 24900611) is 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide is CC(C)C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.
What is the InChIKey of 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is DEBAXFTVSXXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-8(2)16(22)20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20/h3-8H,1-2H3,(H2,17,19)(H2,18,21).
What are the key properties of 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 24900611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).