2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

C24H20N4O2 — CID 69375244

IUPAC2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESNC(=O)C(=Cc1c[nH]c2nccc(NC(=O)Cc3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H20N4O2/c25-23(30)19(17-9-5-2-6-10-17)14-18-15-27-24-22(18)20(11-12-26-24)28-21(29)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H2,25,30)(H2,26,27,28,29)
InChIKeyPESYPDJJIJSIMY-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.77
Rot. Bonds6

About 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (PubChem CID 69375244) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
PubChem CID69375244
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESNC(=O)C(=Cc1c[nH]c2nccc(NC(=O)Cc3ccccc3)c12)c1ccccc1
InChIInChI=1S/C24H20N4O2/c25-23(30)19(17-9-5-2-6-10-17)14-18-15-27-24-22(18)20(11-12-26-24)28-21(29)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H2,25,30)(H2,26,27,28,29)
InChIKeyPESYPDJJIJSIMY-UHFFFAOYSA-N
XLogP3.77
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The IUPAC name of 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (CID 69375244) is 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The canonical SMILES for 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is NC(=O)C(=Cc1c[nH]c2nccc(NC(=O)Cc3ccccc3)c12)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The InChIKey is PESYPDJJIJSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-23(30)19(17-9-5-2-6-10-17)14-18-15-27-24-22(18)20(11-12-26-24)28-21(29)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H2,25,30)(H2,26,27,28,29).
What are the key properties of 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide has a molecular weight of 396.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 69375244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).