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

C19H24N4O2 — CID 136712335

IUPACN-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H](C)C1
InChIInChI=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
InChIKeyFYKMGOJMYLLCIZ-IUODEOHRSA-N
MW340.43 g/mol
LogP2.38
Rot. Bonds4

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 NameN-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID136712335
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H](C)C1
InChIInChI=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
InChIKeyFYKMGOJMYLLCIZ-IUODEOHRSA-N
XLogP2.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).