2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide

C13H18N4O2 — CID 95830196

IUPAC2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)c(C)n1
InChIInChI=1S/C13H18N4O2/c1-8-10(12(14)19)7-15-13(16-8)11-5-3-4-6-17(11)9(2)18/h7,11H,3-6H2,1-2H3,(H2,14,19)/t11-/m1/s1
InChIKeyTXYIKFGMPUGAJY-LLVKDONJSA-N
MW262.31 g/mol
LogP0.96
Rot. Bonds2

About 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide

2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 95830196) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID95830196
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)c(C)n1
InChIInChI=1S/C13H18N4O2/c1-8-10(12(14)19)7-15-13(16-8)11-5-3-4-6-17(11)9(2)18/h7,11H,3-6H2,1-2H3,(H2,14,19)/t11-/m1/s1
InChIKeyTXYIKFGMPUGAJY-LLVKDONJSA-N
XLogP0.96
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833
2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805931
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247544
2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084635
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
CID 165448957

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 95830196) is 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide is CC(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)c(C)n1.
What is the InChIKey of 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is TXYIKFGMPUGAJY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-10(12(14)19)7-15-13(16-8)11-5-3-4-6-17(11)9(2)18/h7,11H,3-6H2,1-2H3,(H2,14,19)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 95830196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).