5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide

C20H23Cl2FN4O3 — CID 146457770

IUPAC5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NN1CCC(NCC(O)COc2ccc(Cl)c(F)c2)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C20H23Cl2FN4O3/c21-13-1-4-19(25-10-13)20(29)26-27-7-5-14(6-8-27)24-11-15(28)12-30-16-2-3-17(22)18(23)9-16/h1-4,9-10,14-15,24,28H,5-8,11-12H2,(H,26,29)
InChIKeyAMARHJQMCMMARG-UHFFFAOYSA-N
MW457.33 g/mol
LogP2.67
Rot. Bonds8

About 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide

5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 146457770) has the molecular formula C20H23Cl2FN4O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID146457770
Molecular FormulaC20H23Cl2FN4O3
Molecular Weight457.33 g/mol
Exact Mass456.11
IUPAC Name5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NN1CCC(NCC(O)COc2ccc(Cl)c(F)c2)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C20H23Cl2FN4O3/c21-13-1-4-19(25-10-13)20(29)26-27-7-5-14(6-8-27)24-11-15(28)12-30-16-2-3-17(22)18(23)9-16/h1-4,9-10,14-15,24,28H,5-8,11-12H2,(H,26,29)
InChIKeyAMARHJQMCMMARG-UHFFFAOYSA-N
XLogP2.67
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide (CID 146457770) is 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide is O=C(NN1CCC(NCC(O)COc2ccc(Cl)c(F)c2)CC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is AMARHJQMCMMARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2FN4O3/c21-13-1-4-19(25-10-13)20(29)26-27-7-5-14(6-8-27)24-11-15(28)12-30-16-2-3-17(22)18(23)9-16/h1-4,9-10,14-15,24,28H,5-8,11-12H2,(H,26,29).
What are the key properties of 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide?
5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 457.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146457770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).