1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide

C14H11N3O3 — CID 50906514

IUPAC1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(N)=O)c(O)c2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N3O3/c1-6(18)10-11-9(13(19)12(17-10)14(15)20)7-4-2-3-5-8(7)16-11/h2-5,16,19H,1H3,(H2,15,20)
InChIKeySHWLACKWPMLEKI-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.72
Rot. Bonds2

About 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide

1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 50906514) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID50906514
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(N)=O)c(O)c2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N3O3/c1-6(18)10-11-9(13(19)12(17-10)14(15)20)7-4-2-3-5-8(7)16-11/h2-5,16,19H,1H3,(H2,15,20)
InChIKeySHWLACKWPMLEKI-UHFFFAOYSA-N
XLogP1.72
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide (CID 50906514) is 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide is CC(=O)c1nc(C(N)=O)c(O)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is SHWLACKWPMLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-6(18)10-11-9(13(19)12(17-10)14(15)20)7-4-2-3-5-8(7)16-11/h2-5,16,19H,1H3,(H2,15,20).
What are the key properties of 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide?
1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 50906514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).