[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate

C20H24FN5O4 — CID 68810292

IUPAC[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate
SMILESCNC(=O)ON1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C20H24FN5O4/c1-23-20(28)30-26-9-7-13(8-10-26)24-17-6-4-14(19(22)25-17)18(27)15-11-12(21)3-5-16(15)29-2/h3-6,11,13H,7-10H2,1-2H3,(H,23,28)(H3,22,24,25)
InChIKeyIMWHWZHSEILGSL-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.19
Rot. Bonds6

About [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate

[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate (PubChem CID 68810292) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate
PubChem CID68810292
Molecular FormulaC20H24FN5O4
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate
SMILESCNC(=O)ON1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C20H24FN5O4/c1-23-20(28)30-26-9-7-13(8-10-26)24-17-6-4-14(19(22)25-17)18(27)15-11-12(21)3-5-16(15)29-2/h3-6,11,13H,7-10H2,1-2H3,(H,23,28)(H3,22,24,25)
InChIKeyIMWHWZHSEILGSL-UHFFFAOYSA-N
XLogP2.19
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate?
The IUPAC name of [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate (CID 68810292) is [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate.
What is the SMILES notation for [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate?
The canonical SMILES for [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate is CNC(=O)ON1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1.
What is the InChIKey of [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate?
The InChIKey is IMWHWZHSEILGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-23-20(28)30-26-9-7-13(8-10-26)24-17-6-4-14(19(22)25-17)18(27)15-11-12(21)3-5-16(15)29-2/h3-6,11,13H,7-10H2,1-2H3,(H,23,28)(H3,22,24,25).
What are the key properties of [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate?
[4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate has a molecular weight of 417.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidin-1-yl] N-methylcarbamate is sourced from PubChem (CID 68810292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).