(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide

C22H21N3O3 — CID 166205623

IUPAC(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1cncc(/C=C/C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1
InChIInChI=1S/C22H21N3O3/c1-15-6-4-8-20(16(15)2)28-22-19(7-5-11-24-22)25-21(26)10-9-17-12-18(27-3)14-23-13-17/h4-14H,1-3H3,(H,25,26)/b10-9+
InChIKeyVOVBZBODKVKDGS-MDZDMXLPSA-N
MW375.43 g/mol
LogP4.55
Rot. Bonds6

About (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide

(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 166205623) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID166205623
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1cncc(/C=C/C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1
InChIInChI=1S/C22H21N3O3/c1-15-6-4-8-20(16(15)2)28-22-19(7-5-11-24-22)25-21(26)10-9-17-12-18(27-3)14-23-13-17/h4-14H,1-3H3,(H,25,26)/b10-9+
InChIKeyVOVBZBODKVKDGS-MDZDMXLPSA-N
XLogP4.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
CID 67026955
(E)-3-(3-bromophenyl)-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]prop-2-enamide
CID 68645348
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 67026943
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
CID 119848997
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
CID 56500151

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide (CID 166205623) is (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide is COc1cncc(/C=C/C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1.
What is the InChIKey of (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is VOVBZBODKVKDGS-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-6-4-8-20(16(15)2)28-22-19(7-5-11-24-22)25-21(26)10-9-17-12-18(27-3)14-23-13-17/h4-14H,1-3H3,(H,25,26)/b10-9+.
What are the key properties of (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide?
(E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 375.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(5-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 166205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).