(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide

C19H19N5O — CID 75533565

IUPAC(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCCCNc1ccccn1
InChIInChI=1S/C19H19N5O/c25-19(22-13-5-12-21-18-8-3-4-11-20-18)10-9-15-14-23-16-6-1-2-7-17(16)24-15/h1-4,6-11,14H,5,12-13H2,(H,20,21)(H,22,25)/b10-9+
InChIKeyAEUCVKATZDJKKF-MDZDMXLPSA-N
MW333.40 g/mol
LogP2.66
Rot. Bonds7

About (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 75533565) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID75533565
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCCCNc1ccccn1
InChIInChI=1S/C19H19N5O/c25-19(22-13-5-12-21-18-8-3-4-11-20-18)10-9-15-14-23-16-6-1-2-7-17(16)24-15/h1-4,6-11,14H,5,12-13H2,(H,20,21)(H,22,25)/b10-9+
InChIKeyAEUCVKATZDJKKF-MDZDMXLPSA-N
XLogP2.66
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 134013589
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
CID 33165528
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide (CID 75533565) is (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)NCCCNc1ccccn1.
What is the InChIKey of (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is AEUCVKATZDJKKF-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(22-13-5-12-21-18-8-3-4-11-20-18)10-9-15-14-23-16-6-1-2-7-17(16)24-15/h1-4,6-11,14H,5,12-13H2,(H,20,21)(H,22,25)/b10-9+.
What are the key properties of (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 333.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 75533565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).