ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C20H23FN4O3 — CID 109215860

IUPACethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-10-7-15(8-11-25)24-19(26)18-13-17(6-9-22-18)23-16-5-3-4-14(21)12-16/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyMJURCNVOYXEGDI-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.32
Rot. Bonds5

About ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109215860) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109215860
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nameethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)CC1
InChIInChI=1S/C20H23FN4O3/c1-2-28-20(27)25-10-7-15(8-11-25)24-19(26)18-13-17(6-9-22-18)23-16-5-3-4-14(21)12-16/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyMJURCNVOYXEGDI-UHFFFAOYSA-N
XLogP3.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[4-(4-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215853
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[2-(3-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310198
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215838
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
ethyl 4-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352783
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138917
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109215860) is ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)CC1.
What is the InChIKey of ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MJURCNVOYXEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-2-28-20(27)25-10-7-15(8-11-25)24-19(26)18-13-17(6-9-22-18)23-16-5-3-4-14(21)12-16/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,22,23)(H,24,26).
What are the key properties of ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109215860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).