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

C20H25F2N5O2 — CID 154613516

IUPAC2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(C(C)C)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H25F2N5O2/c1-11(2)27-8-6-26(7-9-27)10-14(23)16-18(28)19(29)17(25-20(16)24)15-12(21)4-3-5-13(15)22/h3-5,11,23,29H,6-10H2,1-2H3,(H3,24,25,28)/b23-14+
InChIKeyLJYFXXZERCMLCM-OEAKJJBVSA-N
MW405.45 g/mol
LogP2.00
Rot. Bonds5

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

2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one (PubChem CID 154613516) has the molecular formula C20H25F2N5O2 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one
PubChem CID154613516
Molecular FormulaC20H25F2N5O2
Molecular Weight405.45 g/mol
Exact Mass405.20
IUPAC Name2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one
SMILES[H]/N=C(\CN1CCN(C(C)C)CC1)c1c(N)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C20H25F2N5O2/c1-11(2)27-8-6-26(7-9-27)10-14(23)16-18(28)19(29)17(25-20(16)24)15-12(21)4-3-5-13(15)22/h3-5,11,23,29H,6-10H2,1-2H3,(H3,24,25,28)/b23-14+
InChIKeyLJYFXXZERCMLCM-OEAKJJBVSA-N
XLogP2.00
TPSA109.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.00
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-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one (CID 154613516) is 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one is [H]/N=C(\CN1CCN(C(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-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one?
The InChIKey is LJYFXXZERCMLCM-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H25F2N5O2/c1-11(2)27-8-6-26(7-9-27)10-14(23)16-18(28)19(29)17(25-20(16)24)15-12(21)4-3-5-13(15)22/h3-5,11,23,29H,6-10H2,1-2H3,(H3,24,25,28)/b23-14+.
What are the key properties of 2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one?
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-[2-(4-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one has a molecular weight of 405.45 g/mol, XLogP of 2.00, 5 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-propan-2-ylpiperazin-1-yl)ethanimidoyl]-1H-pyridin-4-one is sourced from PubChem (CID 154613516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).