N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide

C20H24N6O4 — CID 118062961

About N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide (PubChem CID 118062961) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide
• PubChem CID: 118062961
• Molecular Formula: C20H24N6O4
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.19
• IUPAC Name: N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide
• SMILES: Cn1cc(NC(=O)c2cccc(C3=NOC(CO)C3)n2)c(N2CCC(C)(C)C2=O)n1
• InChI: InChI=1S/C20H24N6O4/c1-20(2)7-8-26(19(20)29)17-16(10-25(3)23-17)22-18(28)14-6-4-5-13(21-14)15-9-12(11-27)30-24-15/h4-6,10,12,27H,7-9,11H2,1-3H3,(H,22,28)
• InChIKey: KCMLQEMJDGEVCA-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 121.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide?

The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide (CID 118062961) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(C3=NOC(CO)C3)n2)c(N2CCC(C)(C)C2=O)n1.

What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide?

The InChIKey is KCMLQEMJDGEVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-20(2)7-8-26(19(20)29)17-16(10-25(3)23-17)22-18(28)14-6-4-5-13(21-14)15-9-12(11-27)30-24-15/h4-6,10,12,27H,7-9,11H2,1-3H3,(H,22,28).

What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide?

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118062961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).