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

C18H16F2N4O3 — CID 90644681

IUPACN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)
InChIKeyASEXNKRCRNNLIL-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.91
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90644681) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90644681
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)
InChIKeyASEXNKRCRNNLIL-UHFFFAOYSA-N
XLogP1.91
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 90644681) is N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is CN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ASEXNKRCRNNLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90644681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).