3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide

C16H16F2N4O5 — CID 175968060

About 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide

3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide (PubChem CID 175968060) has the molecular formula C16H16F2N4O5 and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 175968060
• Molecular Formula: C16H16F2N4O5
• Molecular Weight: 382.32 g/mol
• Exact Mass: 382.11
• IUPAC Name: 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1ccc(-c2ccn([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)c(=O)n2)c(C(N)=O)n1
• InChI: InChI=1S/C16H16F2N4O5/c1-7-2-3-8(11(20-7)13(19)25)9-4-5-22(15(26)21-9)14-16(17,18)12(24)10(6-23)27-14/h2-5,10,12,14,23-24H,6H2,1H3,(H2,19,25)/t10-,12-,14-/m1/s1
• InChIKey: BMYWWYDIIREPSN-MPKXVKKWSA-N
• XLogP: -0.40
• TPSA: 140.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.32
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide (CID 175968060) is 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide is Cc1ccc(-c2ccn([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)c(=O)n2)c(C(N)=O)n1.

What is the InChIKey of 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is BMYWWYDIIREPSN-MPKXVKKWSA-N. The full InChI is InChI=1S/C16H16F2N4O5/c1-7-2-3-8(11(20-7)13(19)25)9-4-5-22(15(26)21-9)14-16(17,18)12(24)10(6-23)27-14/h2-5,10,12,14,23-24H,6H2,1H3,(H2,19,25)/t10-,12-,14-/m1/s1.

What are the key properties of 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide?

3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 382.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 175968060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).