propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate

C22H24N4O5 — CID 46552521

IUPACpropan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C22H24N4O5/c1-13(2)31-18(27)11-17(14-8-6-5-7-9-14)24-20(28)15-10-16-19(23-12-15)25(3)22(30)26(4)21(16)29/h5-10,12-13,17H,11H2,1-4H3,(H,24,28)
InChIKeyWHZQUOMOXKQNCT-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.45
Rot. Bonds6

About propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate (PubChem CID 46552521) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
PubChem CID46552521
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Namepropan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C22H24N4O5/c1-13(2)31-18(27)11-17(14-8-6-5-7-9-14)24-20(28)15-10-16-19(23-12-15)25(3)22(30)26(4)21(16)29/h5-10,12-13,17H,11H2,1-4H3,(H,24,28)
InChIKeyWHZQUOMOXKQNCT-UHFFFAOYSA-N
XLogP1.45
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 42939132
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552128
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86940693
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24673188
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate (CID 46552521) is propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is WHZQUOMOXKQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13(2)31-18(27)11-17(14-8-6-5-7-9-14)24-20(28)15-10-16-19(23-12-15)25(3)22(30)26(4)21(16)29/h5-10,12-13,17H,11H2,1-4H3,(H,24,28).
What are the key properties of propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 424.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 46552521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).