7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C22H22N4O5 — CID 39266376

IUPAC7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCCO4)cc(C3CC3)nc21
InChIInChI=1S/C22H22N4O5/c1-2-7-26-19-18(21(28)25-22(26)29)14(11-15(24-19)12-3-4-12)20(27)23-13-5-6-16-17(10-13)31-9-8-30-16/h5-6,10-12H,2-4,7-9H2,1H3,(H,23,27)(H,25,28,29)
InChIKeyKKUUMCSDZROOEM-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.40
Rot. Bonds5

About 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39266376) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39266376
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCCO4)cc(C3CC3)nc21
InChIInChI=1S/C22H22N4O5/c1-2-7-26-19-18(21(28)25-22(26)29)14(11-15(24-19)12-3-4-12)20(27)23-13-5-6-16-17(10-13)31-9-8-30-16/h5-6,10-12H,2-4,7-9H2,1H3,(H,23,27)(H,25,28,29)
InChIKeyKKUUMCSDZROOEM-UHFFFAOYSA-N
XLogP2.40
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 120554882
7-cyclopropyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 86937513
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
7-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37037491
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55580941

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39266376) is 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCCO4)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KKUUMCSDZROOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-2-7-26-19-18(21(28)25-22(26)29)14(11-15(24-19)12-3-4-12)20(27)23-13-5-6-16-17(10-13)31-9-8-30-16/h5-6,10-12H,2-4,7-9H2,1H3,(H,23,27)(H,25,28,29).
What are the key properties of 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39266376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).