N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide

C21H22N4O2S — CID 10111250

About N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide

N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 10111250) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
• PubChem CID: 10111250
• Molecular Formula: C21H22N4O2S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.15
• IUPAC Name: N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
• SMILES: CC(C)c1cnc(NC(=O)[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)s1
• InChI: InChI=1S/C21H22N4O2S/c1-13(2)18-12-23-21(28-18)25-19(26)14(3)15-4-6-17(7-5-15)24-20(27)16-8-10-22-11-9-16/h4-14H,1-3H3,(H,24,27)(H,23,25,26)/t14-/m1/s1
• InChIKey: OKQPVRDXRQEZPE-CQSZACIVSA-N
• XLogP: 4.66
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide?

The IUPAC name of N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide (CID 10111250) is N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide is CC(C)c1cnc(NC(=O)[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)s1.

What is the InChIKey of N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide?

The InChIKey is OKQPVRDXRQEZPE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13(2)18-12-23-21(28-18)25-19(26)14(3)15-4-6-17(7-5-15)24-20(27)16-8-10-22-11-9-16/h4-14H,1-3H3,(H,24,27)(H,23,25,26)/t14-/m1/s1.

What are the key properties of N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide?

N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10111250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).