(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide

C17H15N3O — CID 90461927

IUPAC(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide
SMILESNC(=O)/C(=C\c1ccccn1)N1C=Cc2ccccc2C1
InChIInChI=1S/C17H15N3O/c18-17(21)16(11-15-7-3-4-9-19-15)20-10-8-13-5-1-2-6-14(13)12-20/h1-11H,12H2,(H2,18,21)/b16-11+
InChIKeyUICKRQBWUUSQFB-LFIBNONCSA-N
MW277.33 g/mol
LogP2.39
Rot. Bonds3

About (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide

(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 90461927) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide
PubChem CID90461927
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide
SMILESNC(=O)/C(=C\c1ccccn1)N1C=Cc2ccccc2C1
InChIInChI=1S/C17H15N3O/c18-17(21)16(11-15-7-3-4-9-19-15)20-10-8-13-5-1-2-6-14(13)12-20/h1-11H,12H2,(H2,18,21)/b16-11+
InChIKeyUICKRQBWUUSQFB-LFIBNONCSA-N
XLogP2.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198
N-(1H-isoquinoline-2-carbonylamino)formamide
CID 20705871
cyclopentyl(1H-isoquinolin-2-yl)methanone
CID 69095892
1H-isoquinolin-2-yl carbamate
CID 151878845
2-(1H-isoquinolin-2-yl)acetamide
CID 22641902
N-pyridin-2-yl-1H-isoquinolin-2-amine
CID 19595286
(Z)-1-phenyl-2-pyridin-2-ylethenamine
CID 13266377
4-(1H-isoquinolin-2-yl)-3-methyl-4-oxobutanenitrile
CID 57150163
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
1H-isoquinolin-2-ylcarbamothioic S-acid
CID 90950749
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
4-pyridin-2-ylbut-3-enamide
CID 170797301

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide (CID 90461927) is (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide is NC(=O)/C(=C\c1ccccn1)N1C=Cc2ccccc2C1.
What is the InChIKey of (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is UICKRQBWUUSQFB-LFIBNONCSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(21)16(11-15-7-3-4-9-19-15)20-10-8-13-5-1-2-6-14(13)12-20/h1-11H,12H2,(H2,18,21)/b16-11+.
What are the key properties of (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide?
(E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1H-isoquinolin-2-yl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 90461927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).