(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide

C22H20N2O2 — CID 36714365

IUPAC(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-26-21-13-6-5-11-18(21)15-20(17-9-3-2-4-10-17)22(25)24-16-19-12-7-8-14-23-19/h2-15H,16H2,1H3,(H,24,25)/b20-15+
InChIKeyCPWJLHGFHJYVLV-HMMYKYKNSA-N
MW344.41 g/mol
LogP3.95
Rot. Bonds6

About (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 36714365) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID36714365
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(/C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-26-21-13-6-5-11-18(21)15-20(17-9-3-2-4-10-17)22(25)24-16-19-12-7-8-14-23-19/h2-15H,16H2,1H3,(H,24,25)/b20-15+
InChIKeyCPWJLHGFHJYVLV-HMMYKYKNSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 749144
(E)-3-(2-methoxyphenyl)-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]prop-2-enamide
CID 56586190
3-(2-methoxyphenyl)-2-phenyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 72692928
(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
CID 67850877
3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 139335045
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
(E)-2-cyano-3-(3-fluoro-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 112979529
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
CID 33259271

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 36714365) is (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide is COc1ccccc1/C=C(/C(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is CPWJLHGFHJYVLV-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-21-13-6-5-11-18(21)15-20(17-9-3-2-4-10-17)22(25)24-16-19-12-7-8-14-23-19/h2-15H,16H2,1H3,(H,24,25)/b20-15+.
What are the key properties of (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 344.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 36714365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).