1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

C22H19N5O4 — CID 166780664

About 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (PubChem CID 166780664) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
• PubChem CID: 166780664
• Molecular Formula: C22H19N5O4
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.14
• IUPAC Name: 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
• SMILES: Cc1ccc(-c2cc(Oc3ccc(NC(=O)c4cnc(C)n(C)c4=O)nc3)ccn2)o1
• InChI: InChI=1S/C22H19N5O4/c1-13-4-6-19(30-13)18-10-15(8-9-23-18)31-16-5-7-20(25-11-16)26-21(28)17-12-24-14(2)27(3)22(17)29/h4-12H,1-3H3,(H,25,26,28)
• InChIKey: FCBCRDPDMKCKIZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 112.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The IUPAC name of 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (CID 166780664) is 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.

What is the SMILES notation for 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The canonical SMILES for 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is Cc1ccc(-c2cc(Oc3ccc(NC(=O)c4cnc(C)n(C)c4=O)nc3)ccn2)o1.

What is the InChIKey of 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The InChIKey is FCBCRDPDMKCKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-13-4-6-19(30-13)18-10-15(8-9-23-18)31-16-5-7-20(25-11-16)26-21(28)17-12-24-14(2)27(3)22(17)29/h4-12H,1-3H3,(H,25,26,28).

What are the key properties of 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-N-[5-[[2-(5-methylfuran-2-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 166780664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).