ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate

C21H27N5O3 — CID 109373030

IUPACethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C21H27N5O3/c1-4-29-21(28)26-12-10-16(11-13-26)24-20(27)18-14-19(23-15(2)22-18)25(3)17-8-6-5-7-9-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,24,27)
InChIKeyNNUHMIKZBQFOSG-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.90
Rot. Bonds5

About ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109373030) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109373030
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Nameethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C21H27N5O3/c1-4-29-21(28)26-12-10-16(11-13-26)24-20(27)18-14-19(23-15(2)22-18)25(3)17-8-6-5-7-9-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,24,27)
InChIKeyNNUHMIKZBQFOSG-UHFFFAOYSA-N
XLogP2.90
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(benzylamino)-6-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109327101
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 109373030) is ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(N(C)c3ccccc3)nc(C)n2)CC1.
What is the InChIKey of ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is NNUHMIKZBQFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-29-21(28)26-12-10-16(11-13-26)24-20(27)18-14-19(23-15(2)22-18)25(3)17-8-6-5-7-9-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,24,27).
What are the key properties of ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109373030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).