4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C22H28N4O2 — CID 68680224

IUPAC4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2ncc3c(n2)CCN(C(=O)C(CC)CC)C3)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/h7-10,13,16H,4-6,11-12,14H2,1-3H3,(H,23,24,25,27)
InChIKeyOYLPOXYFRPHIKQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.61
Rot. Bonds6

About 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 68680224) 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-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID68680224
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2ncc3c(n2)CCN(C(=O)C(CC)CC)C3)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/h7-10,13,16H,4-6,11-12,14H2,1-3H3,(H,23,24,25,27)
InChIKeyOYLPOXYFRPHIKQ-UHFFFAOYSA-N
XLogP3.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.61
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-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 68680224) is 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is CCc1ccc(C(=O)Nc2ncc3c(n2)CCN(C(=O)C(CC)CC)C3)cc1.
What is the InChIKey of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is OYLPOXYFRPHIKQ-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/h7-10,13,16H,4-6,11-12,14H2,1-3H3,(H,23,24,25,27).
What are the key properties of 4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.61, 6 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-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 68680224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).