2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

C18H16N4O3 — CID 90407322

IUPAC2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1
InChIInChI=1S/C18H16N4O3/c1-19-17(23)12-5-3-4-11(8-12)16-15(21-10-22(16)2)14-9-13(18(24)25)6-7-20-14/h3-10H,1-2H3,(H,19,23)(H,24,25)
InChIKeyIOCMNXRIFNSUHI-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.21
Rot. Bonds4

About 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407322) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407322
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1
InChIInChI=1S/C18H16N4O3/c1-19-17(23)12-5-3-4-11(8-12)16-15(21-10-22(16)2)14-9-13(18(24)25)6-7-20-14/h3-10H,1-2H3,(H,19,23)(H,24,25)
InChIKeyIOCMNXRIFNSUHI-UHFFFAOYSA-N
XLogP2.21
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-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-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407322) is 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is CNC(=O)c1cccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1.
What is the InChIKey of 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is IOCMNXRIFNSUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-19-17(23)12-5-3-4-11(8-12)16-15(21-10-22(16)2)14-9-13(18(24)25)6-7-20-14/h3-10H,1-2H3,(H,19,23)(H,24,25).
What are the key properties of 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[3-(methylcarbamoyl)phenyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).