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

C20H22N4O2 — CID 155277877

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

2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide (PubChem CID 155277877) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide
• PubChem CID: 155277877
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide
• SMILES: Cc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)C2=CC=NC(C)(C)C2)no1
• InChI: InChI=1S/C20H22N4O2/c1-12-22-18(24-26-12)14-4-6-16-13(10-14)5-7-17(16)23-19(25)15-8-9-21-20(2,3)11-15/h4,6,8-10,17H,5,7,11H2,1-3H3,(H,23,25)/t17-/m1/s1
• InChIKey: GQMOVXDPTUSMOF-QGZVFWFLSA-N
• XLogP: 3.33
• TPSA: 80.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide (CID 155277877) is 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide.

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

The canonical SMILES for 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide is Cc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)C2=CC=NC(C)(C)C2)no1.

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

The InChIKey is GQMOVXDPTUSMOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-22-18(24-26-12)14-4-6-16-13(10-14)5-7-17(16)23-19(25)15-8-9-21-20(2,3)11-15/h4,6,8-10,17H,5,7,11H2,1-3H3,(H,23,25)/t17-/m1/s1.

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

2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide is sourced from PubChem (CID 155277877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).