N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide

C20H18F2N4O4 — CID 90644682

IUPACN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(N2CCOCC2)c2cccnc2n(O)c1=O
InChIInChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)
InChIKeySBNAAEROWMQIMU-UHFFFAOYSA-N
MW416.38 g/mol
LogP1.68
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90644682) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90644682
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(N2CCOCC2)c2cccnc2n(O)c1=O
InChIInChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)
InChIKeySBNAAEROWMQIMU-UHFFFAOYSA-N
XLogP1.68
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 90644682) is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1F)c1c(N2CCOCC2)c2cccnc2n(O)c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SBNAAEROWMQIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90644682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).