N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C23H26N4O5 — CID 55567770

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc(C(C)C)nc21
InChIInChI=1S/C23H26N4O5/c1-5-8-27-20-19(22(29)26-23(27)30)15(10-16(25-20)12(2)3)21(28)24-13(4)14-6-7-17-18(9-14)32-11-31-17/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,24,28)(H,26,29,30)
InChIKeyHVFLNKWPVYBYGT-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55567770) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55567770
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc(C(C)C)nc21
InChIInChI=1S/C23H26N4O5/c1-5-8-27-20-19(22(29)26-23(27)30)15(10-16(25-20)12(2)3)21(28)24-13(4)14-6-7-17-18(9-14)32-11-31-17/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,24,28)(H,26,29,30)
InChIKeyHVFLNKWPVYBYGT-UHFFFAOYSA-N
XLogP2.84
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
N-[2-(4-methylphenyl)sulfanylethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55569397
5-(2-methylmorpholine-4-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 134054087
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119427769
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 56537653
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39497108
2,4-dioxo-N-(piperidin-3-ylmethyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119463221
2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55826851
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 47019152
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55567770) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc(C(C)C)nc21.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HVFLNKWPVYBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-5-8-27-20-19(22(29)26-23(27)30)15(10-16(25-20)12(2)3)21(28)24-13(4)14-6-7-17-18(9-14)32-11-31-17/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,24,28)(H,26,29,30).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55567770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).