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

C21H23ClFN3O4 — CID 54681873

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-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)c(Cl)c1)CC2
InChIInChI=1S/C21H23ClFN3O4/c1-4-25(5-2)20(29)17-13-8-9-26(11-12-6-7-15(23)14(22)10-12)19(28)16(13)18(27)21(30)24(17)3/h6-7,10,27H,4-5,8-9,11H2,1-3H3
InChIKeyNXNYRXQPGSVALI-UHFFFAOYSA-N
MW435.88 g/mol
LogP2.56
Rot. Bonds5

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

6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54681873) has the molecular formula C21H23ClFN3O4 and a molecular weight of 435.88 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54681873
Molecular FormulaC21H23ClFN3O4
Molecular Weight435.88 g/mol
Exact Mass435.14
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-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)c(Cl)c1)CC2
InChIInChI=1S/C21H23ClFN3O4/c1-4-25(5-2)20(29)17-13-8-9-26(11-12-6-7-15(23)14(22)10-12)19(28)16(13)18(27)21(30)24(17)3/h6-7,10,27H,4-5,8-9,11H2,1-3H3
InChIKeyNXNYRXQPGSVALI-UHFFFAOYSA-N
XLogP2.56
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 52.56
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]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54681873) is 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-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)c(Cl)c1)CC2.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is NXNYRXQPGSVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O4/c1-4-25(5-2)20(29)17-13-8-9-26(11-12-6-7-15(23)14(22)10-12)19(28)16(13)18(27)21(30)24(17)3/h6-7,10,27H,4-5,8-9,11H2,1-3H3.
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
6-[(3-chloro-4-fluorophenyl)methyl]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 2.56, 5 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]-N,N-diethyl-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54681873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).