3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

C18H19N3O2 — CID 167033017

IUPAC3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCCCCn1cc(-c2cccc(C(N)=O)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C18H19N3O2/c1-2-3-9-21-11-15(14-7-8-20-16(14)18(21)23)12-5-4-6-13(10-12)17(19)22/h4-8,10-11,20H,2-3,9H2,1H3,(H2,19,22)
InChIKeyFPOMPYILFQVOOW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.90
Rot. Bonds5

About 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (PubChem CID 167033017) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
PubChem CID167033017
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCCCCn1cc(-c2cccc(C(N)=O)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C18H19N3O2/c1-2-3-9-21-11-15(14-7-8-20-16(14)18(21)23)12-5-4-6-13(10-12)17(19)22/h4-8,10-11,20H,2-3,9H2,1H3,(H2,19,22)
InChIKeyFPOMPYILFQVOOW-UHFFFAOYSA-N
XLogP2.90
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The IUPAC name of 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (CID 167033017) is 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.
What is the SMILES notation for 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The canonical SMILES for 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is CCCCn1cc(-c2cccc(C(N)=O)c2)c2cc[nH]c2c1=O.
What is the InChIKey of 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The InChIKey is FPOMPYILFQVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-9-21-11-15(14-7-8-20-16(14)18(21)23)12-5-4-6-13(10-12)17(19)22/h4-8,10-11,20H,2-3,9H2,1H3,(H2,19,22).
What are the key properties of 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 167033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).