4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide

C23H21Cl2FN4O2 — CID 21110873

IUPAC4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
SMILESCC(Oc1cc(-c2ccc(C(=O)NC3CNC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H21Cl2FN4O2/c1-12(20-17(24)6-7-18(26)21(20)25)32-19-8-15(9-29-22(19)27)13-2-4-14(5-3-13)23(31)30-16-10-28-11-16/h2-9,12,16,28H,10-11H2,1H3,(H2,27,29)(H,30,31)
InChIKeyGWJYZRVAOMEGQV-UHFFFAOYSA-N
MW475.35 g/mol
LogP4.62
Rot. Bonds6

About 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide (PubChem CID 21110873) has the molecular formula C23H21Cl2FN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
PubChem CID21110873
Molecular FormulaC23H21Cl2FN4O2
Molecular Weight475.35 g/mol
Exact Mass474.10
IUPAC Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
SMILESCC(Oc1cc(-c2ccc(C(=O)NC3CNC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H21Cl2FN4O2/c1-12(20-17(24)6-7-18(26)21(20)25)32-19-8-15(9-29-22(19)27)13-2-4-14(5-3-13)23(31)30-16-10-28-11-16/h2-9,12,16,28H,10-11H2,1H3,(H2,27,29)(H,30,31)
InChIKeyGWJYZRVAOMEGQV-UHFFFAOYSA-N
XLogP4.62
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[4-(hydroxymethyl)cyclohexyl]benzamide
CID 58837240
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylbenzamide
CID 58885740
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 21110887
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 58886373
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 58885899
[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 58885884
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 58885734
1-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 21110738
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine
CID 58688199
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]benzamide
CID 58886449
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
CID 143190162

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide?
The IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide (CID 21110873) is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide.
What is the SMILES notation for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide?
The canonical SMILES for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide is CC(Oc1cc(-c2ccc(C(=O)NC3CNC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide?
The InChIKey is GWJYZRVAOMEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN4O2/c1-12(20-17(24)6-7-18(26)21(20)25)32-19-8-15(9-29-22(19)27)13-2-4-14(5-3-13)23(31)30-16-10-28-11-16/h2-9,12,16,28H,10-11H2,1H3,(H2,27,29)(H,30,31).
What are the key properties of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide?
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide has a molecular weight of 475.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide is sourced from PubChem (CID 21110873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).