2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C22H19ClN4O4 — CID 54705425

IUPAC2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1cccnc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C22H19ClN4O4/c23-16-5-1-3-14(9-16)12-27-8-7-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-15-4-2-6-24-10-15/h1-6,9-10,13,29H,7-8,11-12H2,(H,25,30)
InChIKeySANVLQJHYJNSDJ-UHFFFAOYSA-N
MW438.87 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 54705425) has the molecular formula C22H19ClN4O4 and a molecular weight of 438.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID54705425
Molecular FormulaC22H19ClN4O4
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC Name2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1cccnc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C22H19ClN4O4/c23-16-5-1-3-14(9-16)12-27-8-7-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-15-4-2-6-24-10-15/h1-6,9-10,13,29H,7-8,11-12H2,(H,25,30)
InChIKeySANVLQJHYJNSDJ-UHFFFAOYSA-N
XLogP2.19
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 54705425) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1cccnc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is SANVLQJHYJNSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4/c23-16-5-1-3-14(9-16)12-27-8-7-26-13-17(19(28)20(29)18(26)22(27)31)21(30)25-11-15-4-2-6-24-10-15/h1-6,9-10,13,29H,7-8,11-12H2,(H,25,30).
What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 438.87 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 54705425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).