5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide

C24H27N3O2 — CID 109236652

IUPAC5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNc1cncc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-29-23-12-6-5-11-20(23)13-15-26-22-16-21(17-25-18-22)24(28)27-14-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,16-18,26H,7,10,13-15H2,1H3,(H,27,28)
InChIKeyRBXNIPFXBUDLIR-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.11
Rot. Bonds10

About 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide

5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109236652) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109236652
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNc1cncc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-29-23-12-6-5-11-20(23)13-15-26-22-16-21(17-25-18-22)24(28)27-14-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,16-18,26H,7,10,13-15H2,1H3,(H,27,28)
InChIKeyRBXNIPFXBUDLIR-UHFFFAOYSA-N
XLogP4.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
N-(2-ethyl-6-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236678
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109236652) is 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide is COc1ccccc1CCNc1cncc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is RBXNIPFXBUDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-23-12-6-5-11-20(23)13-15-26-22-16-21(17-25-18-22)24(28)27-14-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,16-18,26H,7,10,13-15H2,1H3,(H,27,28).
What are the key properties of 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide?
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109236652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).