2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one

C21H27F2N5O2 — CID 154613431

IUPAC2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(CC(C)C)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C21H27F2N5O2/c1-12(2)10-27-6-8-28(9-7-27)11-15(24)17-19(29)20(30)18(26-21(17)25)16-13(22)4-3-5-14(16)23/h3-5,12,24,30H,6-11H2,1-2H3,(H3,25,26,29)/b24-15+
InChIKeyGIMVVRXFKFTLIS-BUVRLJJBSA-N
MW419.48 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one

2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one (PubChem CID 154613431) has the molecular formula C21H27F2N5O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
PubChem CID154613431
Molecular FormulaC21H27F2N5O2
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(CC(C)C)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C21H27F2N5O2/c1-12(2)10-27-6-8-28(9-7-27)11-15(24)17-19(29)20(30)18(26-21(17)25)16-13(22)4-3-5-14(16)23/h3-5,12,24,30H,6-11H2,1-2H3,(H3,25,26,29)/b24-15+
InChIKeyGIMVVRXFKFTLIS-BUVRLJJBSA-N
XLogP2.25
TPSA109.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.25
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-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one (CID 154613431) is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one is [H]/N=C(\CN1CCN(CC(C)C)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one?
The InChIKey is GIMVVRXFKFTLIS-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H27F2N5O2/c1-12(2)10-27-6-8-28(9-7-27)11-15(24)17-19(29)20(30)18(26-21(17)25)16-13(22)4-3-5-14(16)23/h3-5,12,24,30H,6-11H2,1-2H3,(H3,25,26,29)/b24-15+.
What are the key properties of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one?
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one has a molecular weight of 419.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanimidoyl]-1H-pyridin-4-one is sourced from PubChem (CID 154613431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).