N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide

C17H17N3O2 — CID 108574860

IUPACN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccn1
InChIInChI=1S/C17H17N3O2/c21-16(10-9-14-6-2-1-3-7-14)19-12-13-20-17(22)15-8-4-5-11-18-15/h1-11H,12-13H2,(H,19,21)(H,20,22)/b10-9+
InChIKeyWJWCBCUVBFEQOL-MDZDMXLPSA-N
MW295.34 g/mol
LogP1.64
Rot. Bonds6

About N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide

N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 108574860) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID108574860
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccn1
InChIInChI=1S/C17H17N3O2/c21-16(10-9-14-6-2-1-3-7-14)19-12-13-20-17(22)15-8-4-5-11-18-15/h1-11H,12-13H2,(H,19,21)(H,20,22)/b10-9+
InChIKeyWJWCBCUVBFEQOL-MDZDMXLPSA-N
XLogP1.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
CID 151838842
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
CID 10246976
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
3,4,5-trihydroxy-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571729
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
N-[(Z)-2-chloro-3-phenylprop-2-enyl]pyridine-2-carboxamide
CID 139125511

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide (CID 108574860) is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide is O=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccn1.
What is the InChIKey of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is WJWCBCUVBFEQOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(10-9-14-6-2-1-3-7-14)19-12-13-20-17(22)15-8-4-5-11-18-15/h1-11H,12-13H2,(H,19,21)(H,20,22)/b10-9+.
What are the key properties of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 108574860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).