2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

C20H19N3O2 — CID 139412582

About 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 139412582) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
• PubChem CID: 139412582
• Molecular Formula: C20H19N3O2
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.15
• IUPAC Name: 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC2CCc3cc(-c4cc(C)on4)ccc32)ccn1
• InChI: InChI=1S/C20H19N3O2/c1-12-9-16(7-8-21-12)20(24)22-18-6-4-14-11-15(3-5-17(14)18)19-10-13(2)25-23-19/h3,5,7-11,18H,4,6H2,1-2H3,(H,22,24)
• InChIKey: VUVVYCIGIUQWJX-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The IUPAC name of 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 139412582) is 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCc3cc(-c4cc(C)on4)ccc32)ccn1.

What is the InChIKey of 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The InChIKey is VUVVYCIGIUQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-9-16(7-8-21-12)20(24)22-18-6-4-14-11-15(3-5-17(14)18)19-10-13(2)25-23-19/h3,5,7-11,18H,4,6H2,1-2H3,(H,22,24).

What are the key properties of 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139412582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).