N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide

C17H17N3O4 — CID 18163065

IUPACN-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C17H17N3O4/c1-11(13-3-2-6-18-8-13)20-16(21)9-19-17(22)12-4-5-14-15(7-12)24-10-23-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGANOGXMVQFFATB-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.42
Rot. Bonds5

About N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 18163065) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID18163065
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C17H17N3O4/c1-11(13-3-2-6-18-8-13)20-16(21)9-19-17(22)12-4-5-14-15(7-12)24-10-23-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGANOGXMVQFFATB-UHFFFAOYSA-N
XLogP1.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(3-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17427302
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95130191
N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 40813476
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46651089
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7882937
N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 22517432
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide (CID 18163065) is N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide is CC(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1cccnc1.
What is the InChIKey of N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GANOGXMVQFFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(13-3-2-6-18-8-13)20-16(21)9-19-17(22)12-4-5-14-15(7-12)24-10-23-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).