N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide

C25H31N5O3 — CID 31849707

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide (PubChem CID 31849707) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
• PubChem CID: 31849707
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
• SMILES: Cc1nc(-c2ccccc2)ccc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C25H31N5O3/c1-15(2)13-29(21-22(26)30(14-16(3)4)25(33)28-23(21)31)24(32)19-11-12-20(27-17(19)5)18-9-7-6-8-10-18/h6-12,15-16H,13-14,26H2,1-5H3,(H,28,31,33)
• InChIKey: UQIWOQTXRHSRFG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 114.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide (CID 31849707) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?

The InChIKey is UQIWOQTXRHSRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)13-29(21-22(26)30(14-16(3)4)25(33)28-23(21)31)24(32)19-11-12-20(27-17(19)5)18-9-7-6-8-10-18/h6-12,15-16H,13-14,26H2,1-5H3,(H,28,31,33).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 31849707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).