ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C21H24F2N4O4 — CID 11618923

IUPACethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)c3c(OC)ccc(F)c3F)c(N)n2)CC1
InChIInChI=1S/C21H24F2N4O4/c1-3-31-21(29)27-10-8-12(9-11-27)25-16-7-4-13(20(24)26-16)19(28)17-15(30-2)6-5-14(22)18(17)23/h4-7,12H,3,8-11H2,1-2H3,(H3,24,25,26)
InChIKeyYQWWMHZQSOTZTQ-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.21
Rot. Bonds6

About ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 11618923) has the molecular formula C21H24F2N4O4 and a molecular weight of 434.44 g/mol. Its IUPAC name is ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID11618923
Molecular FormulaC21H24F2N4O4
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC Nameethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)c3c(OC)ccc(F)c3F)c(N)n2)CC1
InChIInChI=1S/C21H24F2N4O4/c1-3-31-21(29)27-10-8-12(9-11-27)25-16-7-4-13(20(24)26-16)19(28)17-15(30-2)6-5-14(22)18(17)23/h4-7,12H,3,8-11H2,1-2H3,(H3,24,25,26)
InChIKeyYQWWMHZQSOTZTQ-UHFFFAOYSA-N
XLogP3.21
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 11618923) is ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C(=O)c3c(OC)ccc(F)c3F)c(N)n2)CC1.
What is the InChIKey of ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is YQWWMHZQSOTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O4/c1-3-31-21(29)27-10-8-12(9-11-27)25-16-7-4-13(20(24)26-16)19(28)17-15(30-2)6-5-14(22)18(17)23/h4-7,12H,3,8-11H2,1-2H3,(H3,24,25,26).
What are the key properties of ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 434.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 11618923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).