N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide

C23H22N2O — CID 175403316

IUPACN-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide
SMILESCC(/C=C/c1ccccc1)c1ccc(N(C)C(=O)c2ccccc2)cn1
InChIInChI=1S/C23H22N2O/c1-18(13-14-19-9-5-3-6-10-19)22-16-15-21(17-24-22)25(2)23(26)20-11-7-4-8-12-20/h3-18H,1-2H3/b14-13+
InChIKeyGUWPYUUHDIUJCA-BUHFOSPRSA-N
MW342.44 g/mol
LogP5.18
Rot. Bonds5

About N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide

N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide (PubChem CID 175403316) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide
PubChem CID175403316
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide
SMILESCC(/C=C/c1ccccc1)c1ccc(N(C)C(=O)c2ccccc2)cn1
InChIInChI=1S/C23H22N2O/c1-18(13-14-19-9-5-3-6-10-19)22-16-15-21(17-24-22)25(2)23(26)20-11-7-4-8-12-20/h3-18H,1-2H3/b14-13+
InChIKeyGUWPYUUHDIUJCA-BUHFOSPRSA-N
XLogP5.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-(4-phenylbut-3-en-2-yl)pyridine
CID 175403144
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
5-(2,2-dimethylpropoxymethyl)-2-(4-phenylbut-3-en-2-yl)pyridine
CID 175545857
CID 173432275
CID 173432275
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
5-[(E)-2-phenylethenyl]-2-propan-2-ylpyridine
CID 130219351
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
N-(4-methylphenyl)-N-(2-phenylethenyl)benzamide
CID 174311463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide (CID 175403316) is N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide is CC(/C=C/c1ccccc1)c1ccc(N(C)C(=O)c2ccccc2)cn1.
What is the InChIKey of N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide?
The InChIKey is GUWPYUUHDIUJCA-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H22N2O/c1-18(13-14-19-9-5-3-6-10-19)22-16-15-21(17-24-22)25(2)23(26)20-11-7-4-8-12-20/h3-18H,1-2H3/b14-13+.
What are the key properties of N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide?
N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-[(E)-4-phenylbut-3-en-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 175403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).