2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid

C18H18N4O3 — CID 135308290

IUPAC2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid
SMILESCCCCn1cc(C(N)=O)c2cc(-c3cc(C(=O)O)ccn3)ncc21
InChIInChI=1S/C18H18N4O3/c1-2-3-6-22-10-13(17(19)23)12-8-15(21-9-16(12)22)14-7-11(18(24)25)4-5-20-14/h4-5,7-10H,2-3,6H2,1H3,(H2,19,23)(H,24,25)
InChIKeyJPUVTTXMRDRHIK-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.70
Rot. Bonds6

About 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid

2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid (PubChem CID 135308290) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid
PubChem CID135308290
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid
SMILESCCCCn1cc(C(N)=O)c2cc(-c3cc(C(=O)O)ccn3)ncc21
InChIInChI=1S/C18H18N4O3/c1-2-3-6-22-10-13(17(19)23)12-8-15(21-9-16(12)22)14-7-11(18(24)25)4-5-20-14/h4-5,7-10H,2-3,6H2,1H3,(H2,19,23)(H,24,25)
InChIKeyJPUVTTXMRDRHIK-UHFFFAOYSA-N
XLogP2.70
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid (CID 135308290) is 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid is CCCCn1cc(C(N)=O)c2cc(-c3cc(C(=O)O)ccn3)ncc21.
What is the InChIKey of 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid?
The InChIKey is JPUVTTXMRDRHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-3-6-22-10-13(17(19)23)12-8-15(21-9-16(12)22)14-7-11(18(24)25)4-5-20-14/h4-5,7-10H,2-3,6H2,1H3,(H2,19,23)(H,24,25).
What are the key properties of 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid?
2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 135308290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).