2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid

C23H20N4O2 — CID 23174544

IUPAC2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1-c1ncccc1C(=O)O
InChIInChI=1S/C23H20N4O2/c1-15-13-17(25-20-10-12-27(26-20)18-7-4-3-5-8-18)14-16(2)21(15)22-19(23(28)29)9-6-11-24-22/h3-14H,1-2H3,(H,25,26)(H,28,29)
InChIKeyVNHCWGMSELCGQV-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.99
Rot. Bonds5

About 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid

2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid (PubChem CID 23174544) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid
PubChem CID23174544
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1-c1ncccc1C(=O)O
InChIInChI=1S/C23H20N4O2/c1-15-13-17(25-20-10-12-27(26-20)18-7-4-3-5-8-18)14-16(2)21(15)22-19(23(28)29)9-6-11-24-22/h3-14H,1-2H3,(H,25,26)(H,28,29)
InChIKeyVNHCWGMSELCGQV-UHFFFAOYSA-N
XLogP4.99
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid (CID 23174544) is 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid is Cc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1-c1ncccc1C(=O)O.
What is the InChIKey of 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid?
The InChIKey is VNHCWGMSELCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-13-17(25-20-10-12-27(26-20)18-7-4-3-5-8-18)14-16(2)21(15)22-19(23(28)29)9-6-11-24-22/h3-14H,1-2H3,(H,25,26)(H,28,29).
What are the key properties of 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid?
2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 23174544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).