N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide

C23H25N3O3 — CID 113013478

IUPACN-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-20-10-7-18(8-11-20)13-15-24-22-12-9-19(17-25-22)26-23(27)14-16-29-21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,27)
InChIKeyJOGIAUFZVNDMQA-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.15
Rot. Bonds10

About N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide

N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide (PubChem CID 113013478) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
PubChem CID113013478
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-20-10-7-18(8-11-20)13-15-24-22-12-9-19(17-25-22)26-23(27)14-16-29-21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,27)
InChIKeyJOGIAUFZVNDMQA-UHFFFAOYSA-N
XLogP4.15
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013483
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide (CID 113013478) is N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide is COc1ccc(CCNc2ccc(NC(=O)CCOc3ccccc3)cn2)cc1.
What is the InChIKey of N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide?
The InChIKey is JOGIAUFZVNDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-20-10-7-18(8-11-20)13-15-24-22-12-9-19(17-25-22)26-23(27)14-16-29-21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide?
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide has a molecular weight of 391.47 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113013478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).