N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide

C22H17ClN4O2 — CID 46393814

IUPACN-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc2cccnc21
InChIInChI=1S/C22H17ClN4O2/c1-27-20-18(7-4-12-24-20)26-19(22(27)29)14-8-10-15(11-9-14)21(28)25-13-16-5-2-3-6-17(16)23/h2-12H,13H2,1H3,(H,25,28)
InChIKeyDBEUJFDIQWHYOR-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.58
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide

N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393814) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393814
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc2cccnc21
InChIInChI=1S/C22H17ClN4O2/c1-27-20-18(7-4-12-24-20)26-19(22(27)29)14-8-10-15(11-9-14)21(28)25-13-16-5-2-3-6-17(16)23/h2-12H,13H2,1H3,(H,25,28)
InChIKeyDBEUJFDIQWHYOR-UHFFFAOYSA-N
XLogP3.58
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393814) is N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is Cn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc2cccnc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is DBEUJFDIQWHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-27-20-18(7-4-12-24-20)26-19(22(27)29)14-8-10-15(11-9-14)21(28)25-13-16-5-2-3-6-17(16)23/h2-12H,13H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 404.86 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).