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

C19H20FN3O4 — CID 54705194

IUPACN-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCCN(C)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-3-22(2)19(27)15-13-8-9-23(10-11-4-6-12(20)7-5-11)18(26)14(13)16(24)17(25)21-15/h4-7,24H,3,8-10H2,1-2H3,(H,21,25)
InChIKeyWFZKKXUMRLUKSK-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.51
Rot. Bonds4

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

N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (PubChem CID 54705194) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
PubChem CID54705194
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
SMILESCCN(C)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FN3O4/c1-3-22(2)19(27)15-13-8-9-23(10-11-4-6-12(20)7-5-11)18(26)14(13)16(24)17(25)21-15/h4-7,24H,3,8-10H2,1-2H3,(H,21,25)
InChIKeyWFZKKXUMRLUKSK-UHFFFAOYSA-N
XLogP1.51
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 54692263
2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate
CID 67516929
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]propanamide
CID 90900206
10-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-4,5,11,12-tetrahydro-3H-[1,4]diazepino[2,1-a][2,6]naphthyridine-1,7,9-trione
CID 59442495
N-acetyl-N-[6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]acetamide
CID 69059585
5,11-bis[(4-fluorophenyl)methyl]-8-hydroxy-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692338
N-[6-[(4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridin-1-yl]-N-methylmethanesulfonamide
CID 69063052
(12R)-11-ethyl-5-[(4-fluorophenyl)methyl]-8-hydroxy-12-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692386
4-hydroxy-6-[(4-methoxyphenyl)methyl]-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 69441555
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
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176904
6-[(2,4-difluorophenyl)methyl]-4-methoxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 123626957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The IUPAC name of N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide (CID 54705194) is N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is CCN(C)C(=O)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
The InChIKey is WFZKKXUMRLUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-3-22(2)19(27)15-13-8-9-23(10-11-4-6-12(20)7-5-11)18(26)14(13)16(24)17(25)21-15/h4-7,24H,3,8-10H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide?
N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 54705194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).