N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide

C16H14FN3O5 — CID 68675687

IUPACN-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)NCC2O
InChIInChI=1S/C16H14FN3O5/c17-9-3-1-8(2-4-9)5-18-15(24)10-7-20-11(21)6-19-16(25)12(20)14(23)13(10)22/h1-4,7,11,21,23H,5-6H2,(H,18,24)(H,19,25)
InChIKeyMJSYZHPSVPBDLV-UHFFFAOYSA-N
MW347.30 g/mol
LogP-0.14
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 68675687) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID68675687
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)NCC2O
InChIInChI=1S/C16H14FN3O5/c17-9-3-1-8(2-4-9)5-18-15(24)10-7-20-11(21)6-19-16(25)12(20)14(23)13(10)22/h1-4,7,11,21,23H,5-6H2,(H,18,24)(H,19,25)
InChIKeyMJSYZHPSVPBDLV-UHFFFAOYSA-N
XLogP-0.14
TPSA120.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-11-hydroxy-2-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 54713654
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2,4,4-trimethylpentan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309787
N,2-bis[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-d][1,2,4]triazine-7-carboxamide
CID 68941494
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67310271
(3S,6R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 102584023
N-[(4-fluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 66594193
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309710
(3R,6S)-6-tert-butyl-N-[(4-fluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 54713669
N-[(4-fluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8,11-triazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxamide
CID 66594517
(5S)-N-[(4-fluorophenyl)methyl]-11-hydroxy-4,5-dimethyl-9,12-dioxo-3-sulfanyl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 130273435
ethyl 4-[7-[(4-fluorophenyl)methylcarbamoyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate
CID 68677207
N-[(4-fluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-(1,3-thiazol-2-ylmethyl)-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594335

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide (CID 68675687) is N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)NCC2O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is MJSYZHPSVPBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5/c17-9-3-1-8(2-4-9)5-18-15(24)10-7-20-11(21)6-19-16(25)12(20)14(23)13(10)22/h1-4,7,11,21,23H,5-6H2,(H,18,24)(H,19,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 347.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 68675687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).