2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide

C21H24ClN5O3 — CID 92636569

IUPAC2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C21H24ClN5O3/c1-13-17(21(30)26-16-8-6-15(22)7-9-16)11-24-20(25-13)18-5-3-4-10-27(18)19(29)12-23-14(2)28/h6-9,11,18H,3-5,10,12H2,1-2H3,(H,23,28)(H,26,30)/t18-/m1/s1
InChIKeyGNKOVMAHHQSUMU-GOSISDBHSA-N
MW429.91 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide

2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 92636569) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID92636569
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C21H24ClN5O3/c1-13-17(21(30)26-16-8-6-15(22)7-9-16)11-24-20(25-13)18-5-3-4-10-27(18)19(29)12-23-14(2)28/h6-9,11,18H,3-5,10,12H2,1-2H3,(H,23,28)(H,26,30)/t18-/m1/s1
InChIKeyGNKOVMAHHQSUMU-GOSISDBHSA-N
XLogP2.88
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636755
2-[1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088679
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
N-(4-chlorophenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084578
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640165
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084560

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide (CID 92636569) is 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide is CC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is GNKOVMAHHQSUMU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-13-17(21(30)26-16-8-6-15(22)7-9-16)11-24-20(25-13)18-5-3-4-10-27(18)19(29)12-23-14(2)28/h6-9,11,18H,3-5,10,12H2,1-2H3,(H,23,28)(H,26,30)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92636569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).