(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide

C17H18N2O2 — CID 95378350

IUPAC(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
SMILESC[C@@H](CNC(=O)/C=C/c1cccnc1)Oc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(21-16-7-3-2-4-8-16)12-19-17(20)10-9-15-6-5-11-18-13-15/h2-11,13-14H,12H2,1H3,(H,19,20)/b10-9+/t14-/m0/s1
InChIKeyZRNSEOJSBCXABT-HBWSCVEGSA-N
MW282.34 g/mol
LogP2.68
Rot. Bonds6

About (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 95378350) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID95378350
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
SMILESC[C@@H](CNC(=O)/C=C/c1cccnc1)Oc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(21-16-7-3-2-4-8-16)12-19-17(20)10-9-15-6-5-11-18-13-15/h2-11,13-14H,12H2,1H3,(H,19,20)/b10-9+/t14-/m0/s1
InChIKeyZRNSEOJSBCXABT-HBWSCVEGSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.68
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

(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850
(E)-N-[2-(1,3-benzothiazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 86858241
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-pyridin-3-ylprop-2-enamide
CID 98727647
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide (CID 95378350) is (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide is C[C@@H](CNC(=O)/C=C/c1cccnc1)Oc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is ZRNSEOJSBCXABT-HBWSCVEGSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-14(21-16-7-3-2-4-8-16)12-19-17(20)10-9-15-6-5-11-18-13-15/h2-11,13-14H,12H2,1H3,(H,19,20)/b10-9+/t14-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 95378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).