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

C21H25FN4O4 — CID 11668837

IUPACethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C21H25FN4O4/c1-3-30-21(28)26-10-8-14(9-11-26)24-18-7-5-15(20(23)25-18)19(27)16-12-13(22)4-6-17(16)29-2/h4-7,12,14H,3,8-11H2,1-2H3,(H3,23,24,25)
InChIKeyKYFAAOVLNOPYHQ-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.08
Rot. Bonds6

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

ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 11668837) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID11668837
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Nameethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C21H25FN4O4/c1-3-30-21(28)26-10-8-14(9-11-26)24-18-7-5-15(20(23)25-18)19(27)16-12-13(22)4-6-17(16)29-2/h4-7,12,14H,3,8-11H2,1-2H3,(H3,23,24,25)
InChIKeyKYFAAOVLNOPYHQ-UHFFFAOYSA-N
XLogP3.08
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.08
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-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 11668837) is ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1.
What is the InChIKey of ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is KYFAAOVLNOPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-3-30-21(28)26-10-8-14(9-11-26)24-18-7-5-15(20(23)25-18)19(27)16-12-13(22)4-6-17(16)29-2/h4-7,12,14H,3,8-11H2,1-2H3,(H3,23,24,25).
What are the key properties of ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 416.45 g/mol, XLogP of 3.08, 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-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 11668837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).