(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide

C21H19N3O2 — CID 20791792

IUPAC(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccncc1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H19N3O2/c1-16(24-21(25)6-5-17-7-11-22-12-8-17)18-3-2-4-20(15-18)26-19-9-13-23-14-10-19/h2-16H,1H3,(H,24,25)/b6-5+
InChIKeyCNTQUGNUWQHTIC-AATRIKPKSA-N
MW345.40 g/mol
LogP4.16
Rot. Bonds6

About (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide

(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide (PubChem CID 20791792) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
PubChem CID20791792
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccncc1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C21H19N3O2/c1-16(24-21(25)6-5-17-7-11-22-12-8-17)18-3-2-4-20(15-18)26-19-9-13-23-14-10-19/h2-16H,1H3,(H,24,25)/b6-5+
InChIKeyCNTQUGNUWQHTIC-AATRIKPKSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methylphenyl)-N-[(1S)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 20791769
(E)-3-(3,4-difluorophenyl)-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 22473276
(E)-3-(2,3-difluorophenyl)-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 22473232
(E)-3-phenyl-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 20791754
3-(4-chlorophenyl)-N-[(1S)-1-(3-pyrimidin-5-yloxyphenyl)ethyl]prop-2-enamide
CID 91100746
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 10428785
(E)-3-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-pyridin-3-yloxyphenyl)ethyl]prop-2-enamide
CID 20791748
(E)-3-(4-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473280
(E)-N-[(1S)-1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
CID 10291350
(E)-N-[1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
CID 22605517
(E)-3-(3-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473294
(E)-3-(3-aminophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 115342860

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide (CID 20791792) is (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccncc1)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide?
The InChIKey is CNTQUGNUWQHTIC-AATRIKPKSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-16(24-21(25)6-5-17-7-11-22-12-8-17)18-3-2-4-20(15-18)26-19-9-13-23-14-10-19/h2-16H,1H3,(H,24,25)/b6-5+.
What are the key properties of (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide?
(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 20791792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).