N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide

C22H21ClN4O2 — CID 171537861

IUPACN-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
SMILESCCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)NC1CNC1
InChIInChI=1S/C22H21ClN4O2/c1-2-14-7-15(3-4-20(14)22(28)27-17-11-25-12-17)21-9-18(5-6-26-21)29-19-8-16(23)10-24-13-19/h3-10,13,17,25H,2,11-12H2,1H3,(H,27,28)
InChIKeyQEGOQFVVLRBVNG-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.85
Rot. Bonds6

About N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide

N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide (PubChem CID 171537861) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
PubChem CID171537861
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
SMILESCCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)NC1CNC1
InChIInChI=1S/C22H21ClN4O2/c1-2-14-7-15(3-4-20(14)22(28)27-17-11-25-12-17)21-9-18(5-6-26-21)29-19-8-16(23)10-24-13-19/h3-10,13,17,25H,2,11-12H2,1H3,(H,27,28)
InChIKeyQEGOQFVVLRBVNG-UHFFFAOYSA-N
XLogP3.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide (CID 171537861) is N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide is CCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide?
The InChIKey is QEGOQFVVLRBVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-2-14-7-15(3-4-20(14)22(28)27-17-11-25-12-17)21-9-18(5-6-26-21)29-19-8-16(23)10-24-13-19/h3-10,13,17,25H,2,11-12H2,1H3,(H,27,28).
What are the key properties of N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide?
N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide has a molecular weight of 408.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide is sourced from PubChem (CID 171537861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).