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

C20H24N4O4 — CID 128968092

IUPAC2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)NCCOc3cccc(C)c3)c2=O)C1
InChIInChI=1S/C20H24N4O4/c1-14-4-3-5-16(10-14)28-9-7-21-19(26)12-24-13-22-18-11-23(15(2)25)8-6-17(18)20(24)27/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,21,26)
InChIKeyQPHKQCXDHNEANH-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.65
Rot. Bonds6

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

2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 128968092) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID128968092
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)NCCOc3cccc(C)c3)c2=O)C1
InChIInChI=1S/C20H24N4O4/c1-14-4-3-5-16(10-14)28-9-7-21-19(26)12-24-13-22-18-11-23(15(2)25)8-6-17(18)20(24)27/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,21,26)
InChIKeyQPHKQCXDHNEANH-UHFFFAOYSA-N
XLogP0.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31807275
2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 71968867
3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 78899164
N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24533415
N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrazolidin-3-ylpiperidin-1-yl)acetamide
CID 75617168
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235

Frequently Asked Questions

What is the IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 128968092) is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is CC(=O)N1CCc2c(ncn(CC(=O)NCCOc3cccc(C)c3)c2=O)C1.
What is the InChIKey of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is QPHKQCXDHNEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-4-3-5-16(10-14)28-9-7-21-19(26)12-24-13-22-18-11-23(15(2)25)8-6-17(18)20(24)27/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,21,26).
What are the key properties of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 128968092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).