6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide

C21H24N6O3 — CID 54760984

About 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide

6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide (PubChem CID 54760984) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
• PubChem CID: 54760984
• Molecular Formula: C21H24N6O3
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.19
• IUPAC Name: 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccc(CN)n3)cc2)no1
• InChI: InChI=1S/C21H24N6O3/c1-21(2,3)17-11-18(27-30-17)26-20(29)25-14-9-7-13(8-10-14)24-19(28)16-6-4-5-15(12-22)23-16/h4-11H,12,22H2,1-3H3,(H,24,28)(H2,25,26,27,29)
• InChIKey: LJLNAPJXDMNOGM-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 135.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide?

The IUPAC name of 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide (CID 54760984) is 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccc(CN)n3)cc2)no1.

What is the InChIKey of 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide?

The InChIKey is LJLNAPJXDMNOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-21(2,3)17-11-18(27-30-17)26-20(29)25-14-9-7-13(8-10-14)24-19(28)16-6-4-5-15(12-22)23-16/h4-11H,12,22H2,1-3H3,(H,24,28)(H2,25,26,27,29).

What are the key properties of 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide?

6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 54760984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).