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

C21H22N4O2 — CID 46393860

IUPACN-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NC3CCCCC3)cc2)nc2cccnc21
InChIInChI=1S/C21H22N4O2/c1-25-19-17(8-5-13-22-19)24-18(21(25)27)14-9-11-15(12-10-14)20(26)23-16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,23,26)
InChIKeyWTSDVEBYABUNIJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds3

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

N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393860) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393860
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCn1c(=O)c(-c2ccc(C(=O)NC3CCCCC3)cc2)nc2cccnc21
InChIInChI=1S/C21H22N4O2/c1-25-19-17(8-5-13-22-19)24-18(21(25)27)14-9-11-15(12-10-14)20(26)23-16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,23,26)
InChIKeyWTSDVEBYABUNIJ-UHFFFAOYSA-N
XLogP3.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393860) is N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is Cn1c(=O)c(-c2ccc(C(=O)NC3CCCCC3)cc2)nc2cccnc21.
What is the InChIKey of N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is WTSDVEBYABUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-19-17(8-5-13-22-19)24-18(21(25)27)14-9-11-15(12-10-14)20(26)23-16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide?
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).