2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one

C20H22F2N4O3 — CID 154613503

IUPAC2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCOCC1)c1c(NC2CC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H22F2N4O3/c21-12-2-1-3-13(22)15(12)17-19(28)18(27)16(20(25-17)24-11-4-5-11)14(23)10-26-6-8-29-9-7-26/h1-3,11,23,28H,4-10H2,(H2,24,25,27)/b23-14+
InChIKeyPCXFLLIVNLDYIE-OEAKJJBVSA-N
MW404.42 g/mol
LogP2.30
Rot. Bonds6

About 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one

2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one (PubChem CID 154613503) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
PubChem CID154613503
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCOCC1)c1c(NC2CC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H22F2N4O3/c21-12-2-1-3-13(22)15(12)17-19(28)18(27)16(20(25-17)24-11-4-5-11)14(23)10-26-6-8-29-9-7-26/h1-3,11,23,28H,4-10H2,(H2,24,25,27)/b23-14+
InChIKeyPCXFLLIVNLDYIE-OEAKJJBVSA-N
XLogP2.30
TPSA101.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The IUPAC name of 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one (CID 154613503) is 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one is [H]/N=C(\CN1CCOCC1)c1c(NC2CC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
The InChIKey is PCXFLLIVNLDYIE-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c21-12-2-1-3-13(22)15(12)17-19(28)18(27)16(20(25-17)24-11-4-5-11)14(23)10-26-6-8-29-9-7-26/h1-3,11,23,28H,4-10H2,(H2,24,25,27)/b23-14+.
What are the key properties of 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one?
2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one has a molecular weight of 404.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(2,6-difluorophenyl)-5-hydroxy-3-(2-morpholin-4-ylethanimidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 154613503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).