N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide

C20H20N4O5 — CID 16841033

IUPACN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCCCc1cnc2c(c1NC(=O)c1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H20N4O5/c1-4-5-12-9-21-17-15(19(26)24(3)20(27)23(17)2)16(12)22-18(25)11-6-7-13-14(8-11)29-10-28-13/h6-9H,4-5,10H2,1-3H3,(H,21,22,25)
InChIKeyANILQVNWQSVKPO-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.57
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide

N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 16841033) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID16841033
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCCCc1cnc2c(c1NC(=O)c1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H20N4O5/c1-4-5-12-9-21-17-15(19(26)24(3)20(27)23(17)2)16(12)22-18(25)11-6-7-13-14(8-11)29-10-28-13/h6-9H,4-5,10H2,1-3H3,(H,21,22,25)
InChIKeyANILQVNWQSVKPO-UHFFFAOYSA-N
XLogP1.57
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827571
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-4-nitrobenzamide
CID 16840904
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91947982
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 46354944
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
5-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-6-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424409
4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840804
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 16933442
5-(3-acetylanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845344
N-(3-chloro-2,6-diethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26198598
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide (CID 16841033) is N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide is CCCc1cnc2c(c1NC(=O)c1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ANILQVNWQSVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-4-5-12-9-21-17-15(19(26)24(3)20(27)23(17)2)16(12)22-18(25)11-6-7-13-14(8-11)29-10-28-13/h6-9H,4-5,10H2,1-3H3,(H,21,22,25).
What are the key properties of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16841033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).