(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

C16H14N4O2 — CID 118264218

IUPAC(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESCOc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3c2)cn1
InChIInChI=1S/C16H14N4O2/c1-22-15-5-3-10(7-18-15)12-6-13-11(2-4-14(17)21)8-19-16(13)20-9-12/h2-9H,1H3,(H2,17,21)(H,19,20)/b4-2+
InChIKeySVBRSWVRMAIHST-DUXPYHPUSA-N
MW294.31 g/mol
LogP2.13
Rot. Bonds4

About (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (PubChem CID 118264218) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
PubChem CID118264218
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESCOc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3c2)cn1
InChIInChI=1S/C16H14N4O2/c1-22-15-5-3-10(7-18-15)12-6-13-11(2-4-14(17)21)8-19-16(13)20-9-12/h2-9H,1H3,(H2,17,21)(H,19,20)/b4-2+
InChIKeySVBRSWVRMAIHST-DUXPYHPUSA-N
XLogP2.13
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (CID 118264218) is (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is COc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3c2)cn1.
What is the InChIKey of (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The InChIKey is SVBRSWVRMAIHST-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-15-5-3-10(7-18-15)12-6-13-11(2-4-14(17)21)8-19-16(13)20-9-12/h2-9H,1H3,(H2,17,21)(H,19,20)/b4-2+.
What are the key properties of (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 118264218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).