3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide

C20H16N2O2 — CID 68716824

IUPAC3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccc(Oc2ccccc2)nc1)Nc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19(22-17-7-3-1-4-8-17)13-11-16-12-14-20(21-15-16)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyGHDZBFIUGCDAFN-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.53
Rot. Bonds5

About 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide

3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide (PubChem CID 68716824) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
PubChem CID68716824
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccc(Oc2ccccc2)nc1)Nc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19(22-17-7-3-1-4-8-17)13-11-16-12-14-20(21-15-16)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyGHDZBFIUGCDAFN-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.53
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)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide (CID 68716824) is 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide is O=C(C=Cc1ccc(Oc2ccccc2)nc1)Nc1ccccc1.
What is the InChIKey of 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide?
The InChIKey is GHDZBFIUGCDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19(22-17-7-3-1-4-8-17)13-11-16-12-14-20(21-15-16)24-18-9-5-2-6-10-18/h1-15H,(H,22,23).
What are the key properties of 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide?
3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide has a molecular weight of 316.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 68716824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).