7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C24H28N4O3 — CID 37133161

IUPAC7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3C(C)C)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O3/c1-13(2)12-28-21-20(23(30)27-24(28)31)17(11-19(25-21)15-9-10-15)22(29)26-18-8-6-5-7-16(18)14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,26,29)(H,27,30,31)
InChIKeyDRUBHUWUDBIFFA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.99
Rot. Bonds6

About 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 37133161) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID37133161
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3C(C)C)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O3/c1-13(2)12-28-21-20(23(30)27-24(28)31)17(11-19(25-21)15-9-10-15)22(29)26-18-8-6-5-7-16(18)14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,26,29)(H,27,30,31)
InChIKeyDRUBHUWUDBIFFA-UHFFFAOYSA-N
XLogP3.99
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55990465
7-cyclopropyl-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55972944
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56580871
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 55929380
7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55587538

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 37133161) is 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3C(C)C)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DRUBHUWUDBIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-13(2)12-28-21-20(23(30)27-24(28)31)17(11-19(25-21)15-9-10-15)22(29)26-18-8-6-5-7-16(18)14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,26,29)(H,27,30,31).
What are the key properties of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 37133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).