N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C21H15ClN4O3 — CID 134796643

IUPACN-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)nc3cccnc32)cc1
InChIInChI=1S/C21H15ClN4O3/c1-29-14-10-8-13(9-11-14)26-19-17(7-4-12-23-19)24-18(21(26)28)20(27)25-16-6-3-2-5-15(16)22/h2-12H,1H3,(H,25,27)
InChIKeyQDZXEGTXPGMYLA-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.69
Rot. Bonds4

About N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134796643) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134796643
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC NameN-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)nc3cccnc32)cc1
InChIInChI=1S/C21H15ClN4O3/c1-29-14-10-8-13(9-11-14)26-19-17(7-4-12-23-19)24-18(21(26)28)20(27)25-16-6-3-2-5-15(16)22/h2-12H,1H3,(H,25,27)
InChIKeyQDZXEGTXPGMYLA-UHFFFAOYSA-N
XLogP3.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134796643) is N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)nc3cccnc32)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is QDZXEGTXPGMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c1-29-14-10-8-13(9-11-14)26-19-17(7-4-12-23-19)24-18(21(26)28)20(27)25-16-6-3-2-5-15(16)22/h2-12H,1H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134796643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).