4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

C18H14Cl2FN3O2 — CID 155512995

IUPAC4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESC[C@@H](Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25)/t9-/m1/s1
InChIKeyQDIHRWAROZOBRH-SECBINFHSA-N
MW394.23 g/mol
LogP4.61
Rot. Bonds4

About 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 155512995) has the molecular formula C18H14Cl2FN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
PubChem CID155512995
Molecular FormulaC18H14Cl2FN3O2
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC Name4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESC[C@@H](Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25)/t9-/m1/s1
InChIKeyQDIHRWAROZOBRH-SECBINFHSA-N
XLogP4.61
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-pyrrolidin-1-ylethyl)benzamide
CID 21110871
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 21110879
[4-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 21111219
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 54576603
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 58688109
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine
CID 146185140
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 146185145
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine
CID 146185148
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
CID 146185154
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 146185174
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 146185193
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
CID 155565957

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (CID 155512995) is 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is C[C@@H](Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is QDIHRWAROZOBRH-SECBINFHSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25)/t9-/m1/s1.
What are the key properties of 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 394.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 155512995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).