methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate

C23H26N4O4 — CID 46290126

IUPACmethyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1
InChIInChI=1S/C23H26N4O4/c1-13-14(2)31-22-19(13)20(24-15(3)25-22)27-11-9-16(10-12-27)21(28)26-18-8-6-5-7-17(18)23(29)30-4/h5-8,16H,9-12H2,1-4H3,(H,26,28)
InChIKeyUNTXJAQSZVVGAN-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.79
Rot. Bonds4

About methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 46290126) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
PubChem CID46290126
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Namemethyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1
InChIInChI=1S/C23H26N4O4/c1-13-14(2)31-22-19(13)20(24-15(3)25-22)27-11-9-16(10-12-27)21(28)26-18-8-6-5-7-17(18)23(29)30-4/h5-8,16H,9-12H2,1-4H3,(H,26,28)
InChIKeyUNTXJAQSZVVGAN-UHFFFAOYSA-N
XLogP3.79
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-ethylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290122
N-(2-ethoxyphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290154
N-(3-methylbutyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290139
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
N-(2,4-dimethoxyphenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289909
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46290155
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
methyl 3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-hydroxybenzoate
CID 56543060
ethyl 2-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 24981791

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate (CID 46290126) is methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c23)CC1.
What is the InChIKey of methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is UNTXJAQSZVVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-13-14(2)31-22-19(13)20(24-15(3)25-22)27-11-9-16(10-12-27)21(28)26-18-8-6-5-7-17(18)23(29)30-4/h5-8,16H,9-12H2,1-4H3,(H,26,28).
What are the key properties of methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 422.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 46290126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).