N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide

C17H18N2O — CID 6283396

IUPACN-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide
SMILESCC/C(=C\c1ccc(NC(C)=O)cc1)c1ccncc1
InChIInChI=1S/C17H18N2O/c1-3-15(16-8-10-18-11-9-16)12-14-4-6-17(7-5-14)19-13(2)20/h4-12H,3H2,1-2H3,(H,19,20)/b15-12+
InChIKeySWJLYNYRVAKTOA-NTCAYCPXSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide

N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide (PubChem CID 6283396) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide
PubChem CID6283396
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide
SMILESCC/C(=C\c1ccc(NC(C)=O)cc1)c1ccncc1
InChIInChI=1S/C17H18N2O/c1-3-15(16-8-10-18-11-9-16)12-14-4-6-17(7-5-14)19-13(2)20/h4-12H,3H2,1-2H3,(H,19,20)/b15-12+
InChIKeySWJLYNYRVAKTOA-NTCAYCPXSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
CID 6172556
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one
CID 5346383
2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine
CID 11425612
4-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 91650936
4-[3-(4-acetamidophenyl)prop-2-enoylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 126807088
N-[4-[(E)-2-benzoyl-3-oxobut-1-enyl]phenyl]propanamide
CID 6374421
methyl (Z)-3-(4-ethoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 98477716
bis(2,2-dimethylpropyl) 2-[(4-acetamidophenyl)methylidene]propanedioate
CID 15987153
N-[4-(2-nitroprop-1-enyl)phenyl]acetamide
CID 583179
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide (CID 6283396) is N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide is CC/C(=C\c1ccc(NC(C)=O)cc1)c1ccncc1.
What is the InChIKey of N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide?
The InChIKey is SWJLYNYRVAKTOA-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-15(16-8-10-18-11-9-16)12-14-4-6-17(7-5-14)19-13(2)20/h4-12H,3H2,1-2H3,(H,19,20)/b15-12+.
What are the key properties of N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide?
N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-pyridin-4-ylbut-1-enyl]phenyl]acetamide is sourced from PubChem (CID 6283396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).