2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide

C20H22N4O3 — CID 118786077

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1cccc(C)n1
InChIInChI=1S/C20H22N4O3/c1-3-15(16-9-6-7-13(2)21-16)22-19(26)14-8-4-5-10-17(14)24-12-11-18(25)23-20(24)27/h4-10,15H,3,11-12H2,1-2H3,(H,22,26)(H,23,25,27)
InChIKeyRZZRNOXTANTHDE-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide (PubChem CID 118786077) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide
PubChem CID118786077
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1cccc(C)n1
InChIInChI=1S/C20H22N4O3/c1-3-15(16-9-6-7-13(2)21-16)22-19(26)14-8-4-5-10-17(14)24-12-11-18(25)23-20(24)27/h4-10,15H,3,11-12H2,1-2H3,(H,22,26)(H,23,25,27)
InChIKeyRZZRNOXTANTHDE-UHFFFAOYSA-N
XLogP2.72
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide (CID 118786077) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide is CCC(NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1cccc(C)n1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide?
The InChIKey is RZZRNOXTANTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-15(16-9-6-7-13(2)21-16)22-19(26)14-8-4-5-10-17(14)24-12-11-18(25)23-20(24)27/h4-10,15H,3,11-12H2,1-2H3,(H,22,26)(H,23,25,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]benzamide is sourced from PubChem (CID 118786077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).