N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C24H25N3O2 — CID 52876890

IUPACN-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H25N3O2/c28-24(20-12-13-23(26-18-20)27-15-6-7-16-27)25-14-17-29-22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-13,18H,6-7,14-17H2,(H,25,28)
InChIKeyYLZMMBGQYZXYFA-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 52876890) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID52876890
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H25N3O2/c28-24(20-12-13-23(26-18-20)27-15-6-7-16-27)25-14-17-29-22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-13,18H,6-7,14-17H2,(H,25,28)
InChIKeyYLZMMBGQYZXYFA-UHFFFAOYSA-N
XLogP4.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 47054518
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 52876890) is N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCCOc1ccccc1-c1ccccc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YLZMMBGQYZXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(20-12-13-23(26-18-20)27-15-6-7-16-27)25-14-17-29-22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-13,18H,6-7,14-17H2,(H,25,28).
What are the key properties of N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 52876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).