N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

C21H24FN3O4 — CID 54692272

IUPACN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O4/c1-4-24(5-2)20(28)17-15-10-11-25(12-13-6-8-14(22)9-7-13)19(27)16(15)18(26)21(29)23(17)3/h6-9,26H,4-5,10-12H2,1-3H3
InChIKeyVUMWXUKZICXYPW-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.91
Rot. Bonds5

About N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide

N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54692272) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54692272
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC NameN,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCCN(CC)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O4/c1-4-24(5-2)20(28)17-15-10-11-25(12-13-6-8-14(22)9-7-13)19(27)16(15)18(26)21(29)23(17)3/h6-9,26H,4-5,10-12H2,1-3H3
InChIKeyVUMWXUKZICXYPW-UHFFFAOYSA-N
XLogP1.91
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54692272) is N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CCN(CC)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is VUMWXUKZICXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-4-24(5-2)20(28)17-15-10-11-25(12-13-6-8-14(22)9-7-13)19(27)16(15)18(26)21(29)23(17)3/h6-9,26H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).