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

C19H19ClFN3O4 — CID 54692271

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H19ClFN3O4/c1-22(2)18(27)15-11-6-7-24(9-10-4-5-13(21)12(20)8-10)17(26)14(11)16(25)19(28)23(15)3/h4-5,8,25H,6-7,9H2,1-3H3
InChIKeyFFDVONMXYFIBBI-UHFFFAOYSA-N
MW407.83 g/mol
LogP1.78
Rot. Bonds3

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

6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54692271) has the molecular formula C19H19ClFN3O4 and a molecular weight of 407.83 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54692271
Molecular FormulaC19H19ClFN3O4
Molecular Weight407.83 g/mol
Exact Mass407.10
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H19ClFN3O4/c1-22(2)18(27)15-11-6-7-24(9-10-4-5-13(21)12(20)8-10)17(26)14(11)16(25)19(28)23(15)3/h4-5,8,25H,6-7,9H2,1-3H3
InChIKeyFFDVONMXYFIBBI-UHFFFAOYSA-N
XLogP1.78
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54692271) is 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is FFDVONMXYFIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O4/c1-22(2)18(27)15-11-6-7-24(9-10-4-5-13(21)12(20)8-10)17(26)14(11)16(25)19(28)23(15)3/h4-5,8,25H,6-7,9H2,1-3H3.
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54692271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).