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

C17H15N3O — CID 118264157

IUPAC(E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(Cc3ccccc3)cc12
InChIInChI=1S/C17H15N3O/c18-16(21)7-6-14-11-20-17-15(14)9-13(10-19-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H2,18,21)(H,19,20)/b7-6+
InChIKeyZOSTTYULDDUVRZ-VOTSOKGWSA-N
MW277.33 g/mol
LogP2.65
Rot. Bonds4

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

(E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (PubChem CID 118264157) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
PubChem CID118264157
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(Cc3ccccc3)cc12
InChIInChI=1S/C17H15N3O/c18-16(21)7-6-14-11-20-17-15(14)9-13(10-19-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H2,18,21)(H,19,20)/b7-6+
InChIKeyZOSTTYULDDUVRZ-VOTSOKGWSA-N
XLogP2.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 69011596
3-(5-acetamido-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69010992
(E)-3-[5-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705584
N-[1-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]azetidin-3-yl]benzamide
CID 118265385
(E)-3-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118254297
3-[5-(2-methylsulfanylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123557660
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 144894319
(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118264218
(E)-3-[5-(6-isocyano-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123655456
(E)-3-[5-[4-[(1S)-1-hydroxyethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267555
3-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
CID 123411198
(E)-3-[5-(7-fluoroquinolin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267845

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CID 118264157) is (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is NC(=O)/C=C/c1c[nH]c2ncc(Cc3ccccc3)cc12.
What is the InChIKey of (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is ZOSTTYULDDUVRZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16(21)7-6-14-11-20-17-15(14)9-13(10-19-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H2,18,21)(H,19,20)/b7-6+.
What are the key properties of (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
(E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 118264157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).