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

C14H11N3O2 — CID 50993701

IUPAC1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(N)=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N3O2/c1-7(18)12-13-9(6-11(17-12)14(15)19)8-4-2-3-5-10(8)16-13/h2-6,16H,1H3,(H2,15,19)
InChIKeyKIWBXNFOSSEZSM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds2

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

1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 50993701) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID50993701
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(=O)c1nc(C(N)=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11N3O2/c1-7(18)12-13-9(6-11(17-12)14(15)19)8-4-2-3-5-10(8)16-13/h2-6,16H,1H3,(H2,15,19)
InChIKeyKIWBXNFOSSEZSM-UHFFFAOYSA-N
XLogP2.02
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 50993701) is 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide is CC(=O)c1nc(C(N)=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is KIWBXNFOSSEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-7(18)12-13-9(6-11(17-12)14(15)19)8-4-2-3-5-10(8)16-13/h2-6,16H,1H3,(H2,15,19).
What are the key properties of 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide?
1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 50993701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).