N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

C19H24N4O2 — CID 136712335

About N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 136712335) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
• PubChem CID: 136712335
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
• SMILES: Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H](C)C1
• InChI: InChI=1S/C19H24N4O2/c1-12-4-3-5-15(10-12)22-17(24)11-16-13(2)21-18(23-19(16)25)14-6-8-20-9-7-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,24)(H,21,23,25)/t12-,15-/m1/s1
• InChIKey: FYKMGOJMYLLCIZ-IUODEOHRSA-N
• XLogP: 2.38
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?

The IUPAC name of N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide (CID 136712335) is N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?

The canonical SMILES for N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H](C)C1.

What is the InChIKey of N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?

The InChIKey is FYKMGOJMYLLCIZ-IUODEOHRSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-4-3-5-15(10-12)22-17(24)11-16-13(2)21-18(23-19(16)25)14-6-8-20-9-7-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,22,24)(H,21,23,25)/t12-,15-/m1/s1.

What are the key properties of N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide?

N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136712335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).