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

C15H24N4O2 — CID 126807302

IUPAC2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide
SMILESCCCCC(C(N)=O)N1CCc2c(ncn(CC)c2=O)C1
InChIInChI=1S/C15H24N4O2/c1-3-5-6-13(14(16)20)19-8-7-11-12(9-19)17-10-18(4-2)15(11)21/h10,13H,3-9H2,1-2H3,(H2,16,20)
InChIKeyURUWFOOLMJEWKU-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.67
Rot. Bonds6

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

2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide (PubChem CID 126807302) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide
PubChem CID126807302
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide
SMILESCCCCC(C(N)=O)N1CCc2c(ncn(CC)c2=O)C1
InChIInChI=1S/C15H24N4O2/c1-3-5-6-13(14(16)20)19-8-7-11-12(9-19)17-10-18(4-2)15(11)21/h10,13H,3-9H2,1-2H3,(H2,16,20)
InChIKeyURUWFOOLMJEWKU-UHFFFAOYSA-N
XLogP0.67
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-cyclohexyl-2-[4-oxo-5,6,7,8-tetrahydro-3(4H)-quinazolinyl]acetamide
CID 53014419
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
7-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167969807
N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide
CID 53014418
6-(1-Propanoylpyrrolidine-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 168453077
6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136652404
3-[2-(Methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589595
3-[2-(Ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589596
3-[2-(Propylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589597
3-Cyclopentyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83888983
N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483475
N-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483477

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide?
The IUPAC name of 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide (CID 126807302) is 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide is CCCCC(C(N)=O)N1CCc2c(ncn(CC)c2=O)C1.
What is the InChIKey of 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide?
The InChIKey is URUWFOOLMJEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-5-6-13(14(16)20)19-8-7-11-12(9-19)17-10-18(4-2)15(11)21/h10,13H,3-9H2,1-2H3,(H2,16,20).
What are the key properties of 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide?
2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide has a molecular weight of 292.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)hexanamide is sourced from PubChem (CID 126807302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).