3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide

C15H17N3O4 — CID 146081078

IUPAC3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
SMILESCC1=C(C)C(=O)N(CCC(=O)NOCc2cccnc2)C1=O
InChIInChI=1S/C15H17N3O4/c1-10-11(2)15(21)18(14(10)20)7-5-13(19)17-22-9-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,19)
InChIKeyAYBNRQKHEWWKKW-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.72
Rot. Bonds6

About 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide

3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide (PubChem CID 146081078) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
PubChem CID146081078
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
SMILESCC1=C(C)C(=O)N(CCC(=O)NOCc2cccnc2)C1=O
InChIInChI=1S/C15H17N3O4/c1-10-11(2)15(21)18(14(10)20)7-5-13(19)17-22-9-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,19)
InChIKeyAYBNRQKHEWWKKW-UHFFFAOYSA-N
XLogP0.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-3-ylmethoxy)acetamide
CID 75361897
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
propan-2-yl 2-(pyridin-3-ylmethoxy)acetate
CID 83214187
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(pyridin-3-ylmethoxy)acetamide
CID 166231317
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide
CID 166224612

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?
The IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide (CID 146081078) is 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?
The canonical SMILES for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide is CC1=C(C)C(=O)N(CCC(=O)NOCc2cccnc2)C1=O.
What is the InChIKey of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?
The InChIKey is AYBNRQKHEWWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-11(2)15(21)18(14(10)20)7-5-13(19)17-22-9-12-4-3-6-16-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide?
3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide has a molecular weight of 303.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide is sourced from PubChem (CID 146081078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).