2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide

C19H18N4O6 — CID 91818501

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C19H18N4O6/c1-11(29-12-4-5-14-15(9-12)28-10-27-14)17(24)21-7-8-23-18(25)13-3-2-6-20-16(13)22-19(23)26/h2-6,9,11H,7-8,10H2,1H3,(H,21,24)(H,20,22,26)
InChIKeyBOSXZSJQZFIAAK-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.40
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide (PubChem CID 91818501) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
PubChem CID91818501
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C19H18N4O6/c1-11(29-12-4-5-14-15(9-12)28-10-27-14)17(24)21-7-8-23-18(25)13-3-2-6-20-16(13)22-19(23)26/h2-6,9,11H,7-8,10H2,1H3,(H,21,24)(H,20,22,26)
InChIKeyBOSXZSJQZFIAAK-UHFFFAOYSA-N
XLogP0.40
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818484
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 100757652
2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246687
(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2126779
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-methylsulfanylbenzamide
CID 119102277
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 91791914
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
2-(1,3-benzodioxol-5-yloxy)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
CID 91761141
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 124725225
3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide (CID 91818501) is 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide?
The InChIKey is BOSXZSJQZFIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-11(29-12-4-5-14-15(9-12)28-10-27-14)17(24)21-7-8-23-18(25)13-3-2-6-20-16(13)22-19(23)26/h2-6,9,11H,7-8,10H2,1H3,(H,21,24)(H,20,22,26).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 398.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 91818501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).