N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide

C28H26N2O3 — CID 42691756

IUPACN-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)CCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C28H26N2O3/c1-32-23-16-17-27(33-2)24(19-23)26-10-6-9-25(30-26)21-12-14-22(15-13-21)29-28(31)18-11-20-7-4-3-5-8-20/h3-10,12-17,19H,11,18H2,1-2H3,(H,29,31)
InChIKeyXJHLKSAQLNIWFV-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.00
Rot. Bonds8

About N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide

N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide (PubChem CID 42691756) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
PubChem CID42691756
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)CCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C28H26N2O3/c1-32-23-16-17-27(33-2)24(19-23)26-10-6-9-25(30-26)21-12-14-22(15-13-21)29-28(31)18-11-20-7-4-3-5-8-20/h3-10,12-17,19H,11,18H2,1-2H3,(H,29,31)
InChIKeyXJHLKSAQLNIWFV-UHFFFAOYSA-N
XLogP6.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
CID 46087670
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
4-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233680
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-(3-methoxyphenyl)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 110643608

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide (CID 42691756) is N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide is COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)CCc4ccccc4)cc3)n2)c1.
What is the InChIKey of N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide?
The InChIKey is XJHLKSAQLNIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-32-23-16-17-27(33-2)24(19-23)26-10-6-9-25(30-26)21-12-14-22(15-13-21)29-28(31)18-11-20-7-4-3-5-8-20/h3-10,12-17,19H,11,18H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide?
N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 42691756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).