ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate

C20H26N6O3 — CID 109330240

IUPACethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C)cc(C(=O)NCc3ccncc3)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-3-29-20(28)26-10-6-16(7-11-26)24-19-23-14(2)12-17(25-19)18(27)22-13-15-4-8-21-9-5-15/h4-5,8-9,12,16H,3,6-7,10-11,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyGGBFPJJFZWHCMI-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.14
Rot. Bonds6

About ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 109330240) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID109330240
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Nameethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C)cc(C(=O)NCc3ccncc3)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-3-29-20(28)26-10-6-16(7-11-26)24-19-23-14(2)12-17(25-19)18(27)22-13-15-4-8-21-9-5-15/h4-5,8-9,12,16H,3,6-7,10-11,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyGGBFPJJFZWHCMI-UHFFFAOYSA-N
XLogP2.14
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[4-methyl-6-(3-methylbutylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331939
ethyl 4-[[4-(diethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331937
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665
ethyl 4-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109307332
ethyl 4-[[2-(benzylamino)-6-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109327101
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112919896
ethyl 4-[[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112908519
4-[[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194298
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109117873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 109330240) is ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(C)cc(C(=O)NCc3ccncc3)n2)CC1.
What is the InChIKey of ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is GGBFPJJFZWHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-3-29-20(28)26-10-6-16(7-11-26)24-19-23-14(2)12-17(25-19)18(27)22-13-15-4-8-21-9-5-15/h4-5,8-9,12,16H,3,6-7,10-11,13H2,1-2H3,(H,22,27)(H,23,24,25).
What are the key properties of ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 398.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).