N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide

C22H17ClN4O4 — CID 54683358

IUPACN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C22H17ClN4O4/c23-15-5-3-4-14(10-15)12-27-9-8-26-13-17(20(29)21(30)19(26)22(27)31)25-18(28)11-16-6-1-2-7-24-16/h1-10,13,30H,11-12H2,(H,25,28)
InChIKeyFDHOMJIODZGCGP-UHFFFAOYSA-N
MW436.86 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide

N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide (PubChem CID 54683358) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide
PubChem CID54683358
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C22H17ClN4O4/c23-15-5-3-4-14(10-15)12-27-9-8-26-13-17(20(29)21(30)19(26)22(27)31)25-18(28)11-16-6-1-2-7-24-16/h1-10,13,30H,11-12H2,(H,25,28)
InChIKeyFDHOMJIODZGCGP-UHFFFAOYSA-N
XLogP2.44
TPSA105.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide (CID 54683358) is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide?
The InChIKey is FDHOMJIODZGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-15-5-3-4-14(10-15)12-27-9-8-26-13-17(20(29)21(30)19(26)22(27)31)25-18(28)11-16-6-1-2-7-24-16/h1-10,13,30H,11-12H2,(H,25,28).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide?
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide has a molecular weight of 436.86 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 54683358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).