(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

C19H19N5O2 — CID 118267720

IUPAC(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C19H19N5O2/c20-17(25)3-1-14-11-22-19-16(14)9-15(12-23-19)13-2-4-18(21-10-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H2,20,25)(H,22,23)/b3-1+
InChIKeyBSVHDQKTBYJVTQ-HNQUOIGGSA-N
MW349.39 g/mol
LogP1.96
Rot. Bonds4

About (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (PubChem CID 118267720) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
PubChem CID118267720
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12
InChIInChI=1S/C19H19N5O2/c20-17(25)3-1-14-11-22-19-16(14)9-15(12-23-19)13-2-4-18(21-10-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H2,20,25)(H,22,23)/b3-1+
InChIKeyBSVHDQKTBYJVTQ-HNQUOIGGSA-N
XLogP1.96
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide (CID 118267720) is (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is NC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12.
What is the InChIKey of (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
The InChIKey is BSVHDQKTBYJVTQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-17(25)3-1-14-11-22-19-16(14)9-15(12-23-19)13-2-4-18(21-10-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H2,20,25)(H,22,23)/b3-1+.
What are the key properties of (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide?
(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 118267720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).