5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

C75H69BrCl4N6O13 — CID 160512093

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCOC(Cn1cc(-c2ccccc2)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.Cl.O=c1c(-c2ccccc2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C30H29ClN2O5.C24H24BrClN2O5.C21H15ClN2O3.ClH/c1-36-26(37-2)19-33-18-25(23-13-7-4-8-14-23)28(34)29(38-20-21-10-5-3-6-11-21)27(33)30(35)32-17-22-12-9-15-24(31)16-22;1-31-20(32-2)14-28-13-19(25)22(29)23(33-15-16-7-4-3-5-8-16)21(28)24(30)27-12-17-9-6-10-18(26)11-17;22-16-8-4-5-14(11-16)12-24-10-9-23-13-17(15-6-2-1-3-7-15)19(25)20(26)18(23)21(24)27;/h3-16,18,26H,17,19-20H2,1-2H3,(H,32,35);3-11,13,20H,12,14-15H2,1-2H3,(H,27,30);1-11,13,26H,12H2;1H
InChIKeyMXQZZCYCDHQISN-UHFFFAOYSA-N
MW1484.12 g/mol
LogP13.65
Rot. Bonds24

About 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (PubChem CID 160512093) has the molecular formula C75H69BrCl4N6O13 and a molecular weight of 1484.12 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
PubChem CID160512093
Molecular FormulaC75H69BrCl4N6O13
Molecular Weight1484.12 g/mol
Exact Mass1480.29
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCOC(Cn1cc(-c2ccccc2)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.Cl.O=c1c(-c2ccccc2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C30H29ClN2O5.C24H24BrClN2O5.C21H15ClN2O3.ClH/c1-36-26(37-2)19-33-18-25(23-13-7-4-8-14-23)28(34)29(38-20-21-10-5-3-6-11-21)27(33)30(35)32-17-22-12-9-15-24(31)16-22;1-31-20(32-2)14-28-13-19(25)22(29)23(33-15-16-7-4-3-5-8-16)21(28)24(30)27-12-17-9-6-10-18(26)11-17;22-16-8-4-5-14(11-16)12-24-10-9-23-13-17(15-6-2-1-3-7-15)19(25)20(26)18(23)21(24)27;/h3-16,18,26H,17,19-20H2,1-2H3,(H,32,35);3-11,13,20H,12,14-15H2,1-2H3,(H,27,30);1-11,13,26H,12H2;1H
InChIKeyMXQZZCYCDHQISN-UHFFFAOYSA-N
XLogP13.65
TPSA221.29 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.12
LogP ≤ 513.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride with MolForge

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Related Compounds

5-acetyl-N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;7-acetyl-2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 159083349
[6-[(3-chlorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenylmethoxy-3-pyridinyl]carbamic acid
CID 21091367
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-methoxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683302
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683443
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
CID 54683431
5-bromo-3-butoxy-N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 71082222
ethyl 2-[[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carbonyl]amino]acetate
CID 90896031
7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
CID 54683295
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683372
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683579
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54705383
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]propanamide
CID 54705293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (CID 160512093) is 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is COC(Cn1cc(-c2ccccc2)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC.Cl.O=c1c(-c2ccccc2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The InChIKey is MXQZZCYCDHQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN2O5.C24H24BrClN2O5.C21H15ClN2O3.ClH/c1-36-26(37-2)19-33-18-25(23-13-7-4-8-14-23)28(34)29(38-20-21-10-5-3-6-11-21)27(33)30(35)32-17-22-12-9-15-24(31)16-22;1-31-20(32-2)14-28-13-19(25)22(29)23(33-15-16-7-4-3-5-8-16)21(28)24(30)27-12-17-9-6-10-18(26)11-17;22-16-8-4-5-14(11-16)12-24-10-9-23-13-17(15-6-2-1-3-7-15)19(25)20(26)18(23)21(24)27;/h3-16,18,26H,17,19-20H2,1-2H3,(H,32,35);3-11,13,20H,12,14-15H2,1-2H3,(H,27,30);1-11,13,26H,12H2;1H.
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride has a molecular weight of 1484.12 g/mol, XLogP of 13.65, 24 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide;N-[(3-chlorophenyl)methyl]-1-(2,2-dimethoxyethyl)-4-oxo-5-phenyl-3-phenylmethoxypyridine-2-carboxamide;2-[(3-chlorophenyl)methyl]-9-hydroxy-7-phenylpyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is sourced from PubChem (CID 160512093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).