4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide

C25H27ClN4O2 — CID 174279392

IUPAC4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
SMILESCCc1cc(-c2cc(Oc3cnc(C)c(Cl)c3)ccn2)ccc1C(=O)NC1CCNCC1
InChIInChI=1S/C25H27ClN4O2/c1-3-17-12-18(4-5-22(17)25(31)30-19-6-9-27-10-7-19)24-14-20(8-11-28-24)32-21-13-23(26)16(2)29-15-21/h4-5,8,11-15,19,27H,3,6-7,9-10H2,1-2H3,(H,30,31)
InChIKeyQXRLRURZSITUIR-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.94
Rot. Bonds6

About 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide

4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide (PubChem CID 174279392) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
PubChem CID174279392
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
SMILESCCc1cc(-c2cc(Oc3cnc(C)c(Cl)c3)ccn2)ccc1C(=O)NC1CCNCC1
InChIInChI=1S/C25H27ClN4O2/c1-3-17-12-18(4-5-22(17)25(31)30-19-6-9-27-10-7-19)24-14-20(8-11-28-24)32-21-13-23(26)16(2)29-15-21/h4-5,8,11-15,19,27H,3,6-7,9-10H2,1-2H3,(H,30,31)
InChIKeyQXRLRURZSITUIR-UHFFFAOYSA-N
XLogP4.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide (CID 174279392) is 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide is CCc1cc(-c2cc(Oc3cnc(C)c(Cl)c3)ccn2)ccc1C(=O)NC1CCNCC1.
What is the InChIKey of 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide?
The InChIKey is QXRLRURZSITUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-3-17-12-18(4-5-22(17)25(31)30-19-6-9-27-10-7-19)24-14-20(8-11-28-24)32-21-13-23(26)16(2)29-15-21/h4-5,8,11-15,19,27H,3,6-7,9-10H2,1-2H3,(H,30,31).
What are the key properties of 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide?
4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide has a molecular weight of 450.97 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 174279392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).