methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

C22H24N4O5 — CID 29057460

IUPACmethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCC[C@@H](C)NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H24N4O5/c1-5-13(2)23-17(27)12-25-20(28)18-16(21(29)31-4)11-14(3)24-19(18)26(22(25)30)15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeySUBJQTRIJBUVGN-CYBMUJFWSA-N
MW424.46 g/mol
LogP1.56
Rot. Bonds6

About methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 29057460) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID29057460
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Namemethyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCC[C@@H](C)NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H24N4O5/c1-5-13(2)23-17(27)12-25-20(28)18-16(21(29)31-4)11-14(3)24-19(18)26(22(25)30)15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeySUBJQTRIJBUVGN-CYBMUJFWSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
methyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250660
methyl 3-[2-(4-acetylanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250558
methyl 1,7-dimethyl-2,4-dioxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812800
methyl 7-cyclopropyl-3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250779
methyl 7-cyclopropyl-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250817
N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17251348
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
methyl 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250648
methyl 7-methyl-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250556
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 29057460) is methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is CC[C@@H](C)NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is SUBJQTRIJBUVGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-5-13(2)23-17(27)12-25-20(28)18-16(21(29)31-4)11-14(3)24-19(18)26(22(25)30)15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3,(H,23,27)/t13-/m1/s1.
What are the key properties of methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 29057460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).