ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate

C22H24N4O4 — CID 20925199

IUPACethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ncnc(N4CCCCC4)c23)cc1
InChIInChI=1S/C22H24N4O4/c1-3-29-22(28)15-7-9-16(10-8-15)25-20(27)17-14(2)30-21-18(17)19(23-13-24-21)26-11-5-4-6-12-26/h7-10,13H,3-6,11-12H2,1-2H3,(H,25,27)
InChIKeyLBHTZGRAYQTKND-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.95
Rot. Bonds5

About ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate

ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate (PubChem CID 20925199) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
PubChem CID20925199
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Nameethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ncnc(N4CCCCC4)c23)cc1
InChIInChI=1S/C22H24N4O4/c1-3-29-22(28)15-7-9-16(10-8-15)25-20(27)17-14(2)30-21-18(17)19(23-13-24-21)26-11-5-4-6-12-26/h7-10,13H,3-6,11-12H2,1-2H3,(H,25,27)
InChIKeyLBHTZGRAYQTKND-UHFFFAOYSA-N
XLogP3.95
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925190
ethyl 4-[[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate
CID 46363780
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924859
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 46280377
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925175
ethyl 4-[[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]carbamoylamino]benzoate
CID 71839987
N-(2-methoxyphenyl)-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925246
N-(4-bromophenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847339

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate (CID 20925199) is ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ncnc(N4CCCCC4)c23)cc1.
What is the InChIKey of ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is LBHTZGRAYQTKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-29-22(28)15-7-9-16(10-8-15)25-20(27)17-14(2)30-21-18(17)19(23-13-24-21)26-11-5-4-6-12-26/h7-10,13H,3-6,11-12H2,1-2H3,(H,25,27).
What are the key properties of ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate?
ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 408.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 20925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).