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

C20H22FN3O4 — CID 54678881

IUPAC6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1F
InChIInChI=1S/C20H22FN3O4/c1-11-5-6-12(9-14(11)21)10-24-8-7-13-15(18(24)26)17(25)20(28)23(4)16(13)19(27)22(2)3/h5-6,9,25H,7-8,10H2,1-4H3
InChIKeyQGHHVUXCYCKDPE-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.44
Rot. Bonds3

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

6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (PubChem CID 54678881) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
PubChem CID54678881
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
SMILESCc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1F
InChIInChI=1S/C20H22FN3O4/c1-11-5-6-12(9-14(11)21)10-24-8-7-13-15(18(24)26)17(25)20(28)23(4)16(13)19(27)22(2)3/h5-6,9,25H,7-8,10H2,1-4H3
InChIKeyQGHHVUXCYCKDPE-UHFFFAOYSA-N
XLogP1.44
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The IUPAC name of 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide (CID 54678881) is 6-[(3-fluoro-4-methylphenyl)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-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is Cc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
The InChIKey is QGHHVUXCYCKDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-11-5-6-12(9-14(11)21)10-24-8-7-13-15(18(24)26)17(25)20(28)23(4)16(13)19(27)22(2)3/h5-6,9,25H,7-8,10H2,1-4H3.
What are the key properties of 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide?
6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54678881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).