N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide

C16H11F2N3O4 — CID 171850338

IUPACN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn2cc[nH]c(=O)c2c(O)c1=O
InChIInChI=1S/C16H11F2N3O4/c17-9-2-1-8(11(18)5-9)6-20-15(24)10-7-21-4-3-19-16(25)12(21)14(23)13(10)22/h1-5,7,23H,6H2,(H,19,25)(H,20,24)
InChIKeyIKOAWDWLCNDAIO-UHFFFAOYSA-N
MW347.28 g/mol
LogP0.90
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 171850338) has the molecular formula C16H11F2N3O4 and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID171850338
Molecular FormulaC16H11F2N3O4
Molecular Weight347.28 g/mol
Exact Mass347.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn2cc[nH]c(=O)c2c(O)c1=O
InChIInChI=1S/C16H11F2N3O4/c17-9-2-1-8(11(18)5-9)6-20-15(24)10-7-21-4-3-19-16(25)12(21)14(23)13(10)22/h1-5,7,23H,6H2,(H,19,25)(H,20,24)
InChIKeyIKOAWDWLCNDAIO-UHFFFAOYSA-N
XLogP0.90
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-hydroxybutyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
CID 170855321
N-[(2,4-difluorophenyl)methyl]-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
CID 171850333
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-hydroxyethyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 139426988
(8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-methyl-2,9-dioxo-8-propyl-6,7-dihydroquinolizine-3-carboxamide
CID 155273828
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide
CID 155258958
2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide
CID 153381837
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-1'-(2-methoxyethyl)-3'-methyl-4',6'-dioxospiro[cyclopentane-1,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 122660412
(10S)-N-[(2,4-difluorophenyl)methyl]-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,12,15-pentaene-13-carboxamide
CID 155145438
(3S)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-4-methyl-7-methylidene-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 163981218
(3S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 66596574

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide (CID 171850338) is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1F)c1cn2cc[nH]c(=O)c2c(O)c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is IKOAWDWLCNDAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O4/c17-9-2-1-8(11(18)5-9)6-20-15(24)10-7-21-4-3-19-16(25)12(21)14(23)13(10)22/h1-5,7,23H,6H2,(H,19,25)(H,20,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 347.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 171850338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).