4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C22H28N4O2 — CID 69480821

IUPAC4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC2=NCC3=CN(C(=O)C(CC)CC)CCC3=N2)cc1
InChIInChI=1S/C22H28N4O2/c1-4-15-7-9-17(10-8-15)20(27)25-22-23-13-18-14-26(12-11-19(18)24-22)21(28)16(5-2)6-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,23,25,27)
InChIKeyXTWLGZDLLYBLHQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.34
Rot. Bonds5

About 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69480821) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID69480821
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC2=NCC3=CN(C(=O)C(CC)CC)CCC3=N2)cc1
InChIInChI=1S/C22H28N4O2/c1-4-15-7-9-17(10-8-15)20(27)25-22-23-13-18-14-26(12-11-19(18)24-22)21(28)16(5-2)6-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,23,25,27)
InChIKeyXTWLGZDLLYBLHQ-UHFFFAOYSA-N
XLogP3.34
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 69480821) is 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is CCc1ccc(C(=O)NC2=NCC3=CN(C(=O)C(CC)CC)CCC3=N2)cc1.
What is the InChIKey of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is XTWLGZDLLYBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-15-7-9-17(10-8-15)20(27)25-22-23-13-18-14-26(12-11-19(18)24-22)21(28)16(5-2)6-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,23,25,27).
What are the key properties of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69480821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).