2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

C17H17N3O3 — CID 58024331

IUPAC2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Oc2ccnc3c2CC(=O)N3)c1
InChIInChI=1S/C17H17N3O3/c1-10(2)17(22)19-11-4-3-5-12(8-11)23-14-6-7-18-16-13(14)9-15(21)20-16/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyZVDUSYFFRFDNCP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide (PubChem CID 58024331) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
PubChem CID58024331
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(Oc2ccnc3c2CC(=O)N3)c1
InChIInChI=1S/C17H17N3O3/c1-10(2)17(22)19-11-4-3-5-12(8-11)23-14-6-7-18-16-13(14)9-15(21)20-16/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyZVDUSYFFRFDNCP-UHFFFAOYSA-N
XLogP2.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;2-methyl-N-(3-methylphenyl)propanamide
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1-[2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]-3-[3-(trifluoromethyl)phenyl]urea
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N-(4-chloro-3-methylphenyl)-2-[3-[(2-oxo-3H-furo[3,2-b]pyridin-7-yl)oxy]anilino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide (CID 58024331) is 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide is CC(C)C(=O)Nc1cccc(Oc2ccnc3c2CC(=O)N3)c1.
What is the InChIKey of 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The InChIKey is ZVDUSYFFRFDNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)17(22)19-11-4-3-5-12(8-11)23-14-6-7-18-16-13(14)9-15(21)20-16/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide has a molecular weight of 311.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 58024331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).