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

C20H22ClFN4O4 — CID 54720506

IUPAC2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1CCN)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C20H22ClFN4O4/c1-24(2)19(29)16-12-5-7-25(10-11-3-4-14(22)13(21)9-11)18(28)15(12)17(27)20(30)26(16)8-6-23/h3-4,9,27H,5-8,10,23H2,1-2H3
InChIKeyLJPNTFDTDNEKAE-UHFFFAOYSA-N
MW436.87 g/mol
LogP1.21
Rot. Bonds5

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

2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54720506) has the molecular formula C20H22ClFN4O4 and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54720506
Molecular FormulaC20H22ClFN4O4
Molecular Weight436.87 g/mol
Exact Mass436.13
IUPAC Name2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c(=O)n1CCN)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C20H22ClFN4O4/c1-24(2)19(29)16-12-5-7-25(10-11-3-4-14(22)13(21)9-11)18(28)15(12)17(27)20(30)26(16)8-6-23/h3-4,9,27H,5-8,10,23H2,1-2H3
InChIKeyLJPNTFDTDNEKAE-UHFFFAOYSA-N
XLogP1.21
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54720506) is 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1c2c(c(O)c(=O)n1CCN)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is LJPNTFDTDNEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O4/c1-24(2)19(29)16-12-5-7-25(10-11-3-4-14(22)13(21)9-11)18(28)15(12)17(27)20(30)26(16)8-6-23/h3-4,9,27H,5-8,10,23H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54720506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).