5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide

C28H25N3O — CID 166440950

IUPAC5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(/C(=C/c2ccccc2)c2ccccc2)c(-c2ccccn2)n1
InChIInChI=1S/C28H25N3O/c1-20(2)30-28(32)26-17-16-23(27(31-26)25-15-9-10-18-29-25)24(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h3-20H,1-2H3,(H,30,32)/b24-19+
InChIKeyJFLHNKMZRMCZRT-LYBHJNIJSA-N
MW419.53 g/mol
LogP5.87
Rot. Bonds6

About 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide

5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 166440950) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide
PubChem CID166440950
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC Name5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(/C(=C/c2ccccc2)c2ccccc2)c(-c2ccccn2)n1
InChIInChI=1S/C28H25N3O/c1-20(2)30-28(32)26-17-16-23(27(31-26)25-15-9-10-18-29-25)24(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h3-20H,1-2H3,(H,30,32)/b24-19+
InChIKeyJFLHNKMZRMCZRT-LYBHJNIJSA-N
XLogP5.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
CID 101134171
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425
CID 173126547
CID 173126547
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
1,2-diphenylethenylbenzene;quinoxaline
CID 175322673
1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
CID 2739071
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone
CID 90646559
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide (CID 166440950) is 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(/C(=C/c2ccccc2)c2ccccc2)c(-c2ccccn2)n1.
What is the InChIKey of 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is JFLHNKMZRMCZRT-LYBHJNIJSA-N. The full InChI is InChI=1S/C28H25N3O/c1-20(2)30-28(32)26-17-16-23(27(31-26)25-15-9-10-18-29-25)24(22-13-7-4-8-14-22)19-21-11-5-3-6-12-21/h3-20H,1-2H3,(H,30,32)/b24-19+.
What are the key properties of 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide?
5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 166440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).