N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

C20H22N4O2 — CID 109163149

About N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109163149) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
• PubChem CID: 109163149
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
• SMILES: Cc1cc(Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cn2)no1
• InChI: InChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-17-10-9-14(12-21-17)19(25)22-16-8-6-5-7-15(16)20(2,3)4/h5-12H,1-4H3,(H,22,25)(H,21,23,24)
• InChIKey: KNUDFRFGHHDDSB-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The IUPAC name of N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (CID 109163149) is N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cn2)no1.

What is the InChIKey of N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

The InChIKey is KNUDFRFGHHDDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-18(24-26-13)23-17-10-9-14(12-21-17)19(25)22-16-8-6-5-7-15(16)20(2,3)4/h5-12H,1-4H3,(H,22,25)(H,21,23,24).

What are the key properties of N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?

N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109163149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).