(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide

C14H11N3OS — CID 18400704

IUPAC(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1c[nH]c2ncccc12)c1ccsc1
InChIInChI=1S/C14H11N3OS/c15-13(18)12(9-3-5-19-8-9)6-10-7-17-14-11(10)2-1-4-16-14/h1-8H,(H2,15,18)(H,16,17)/b12-6+
InChIKeyIAUZBJQGWMXXHB-WUXMJOGZSA-N
MW269.33 g/mol
LogP2.65
Rot. Bonds3

About (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide

(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide (PubChem CID 18400704) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide
PubChem CID18400704
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1c[nH]c2ncccc12)c1ccsc1
InChIInChI=1S/C14H11N3OS/c15-13(18)12(9-3-5-19-8-9)6-10-7-17-14-11(10)2-1-4-16-14/h1-8H,(H2,15,18)(H,16,17)/b12-6+
InChIKeyIAUZBJQGWMXXHB-WUXMJOGZSA-N
XLogP2.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
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 (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide (CID 18400704) is (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide is NC(=O)/C(=C/c1c[nH]c2ncccc12)c1ccsc1.
What is the InChIKey of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide?
The InChIKey is IAUZBJQGWMXXHB-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-13(18)12(9-3-5-19-8-9)6-10-7-17-14-11(10)2-1-4-16-14/h1-8H,(H2,15,18)(H,16,17)/b12-6+.
What are the key properties of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide?
(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide has a molecular weight of 269.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 18400704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).