N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide

C21H17ClN4O4 — CID 54705416

IUPACN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2)c1ccncc1
InChIInChI=1S/C21H17ClN4O4/c22-15-3-1-2-13(10-15)11-26-9-8-25-12-16(18(27)19(28)17(25)21(26)30)24-20(29)14-4-6-23-7-5-14/h1-7,10,12,28H,8-9,11H2,(H,24,29)
InChIKeyWOFUSNHOKOFREV-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.51
Rot. Bonds4

About N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide

N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide (PubChem CID 54705416) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide
PubChem CID54705416
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2)c1ccncc1
InChIInChI=1S/C21H17ClN4O4/c22-15-3-1-2-13(10-15)11-26-9-8-25-12-16(18(27)19(28)17(25)21(26)30)24-20(29)14-4-6-23-7-5-14/h1-7,10,12,28H,8-9,11H2,(H,24,29)
InChIKeyWOFUSNHOKOFREV-UHFFFAOYSA-N
XLogP2.51
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide (CID 54705416) is N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide is O=C(Nc1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2)c1ccncc1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide?
The InChIKey is WOFUSNHOKOFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-15-3-1-2-13(10-15)11-26-9-8-25-12-16(18(27)19(28)17(25)21(26)30)24-20(29)14-4-6-23-7-5-14/h1-7,10,12,28H,8-9,11H2,(H,24,29).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide?
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide has a molecular weight of 424.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54705416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).