N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C26H24N4O2 — CID 10295933

IUPACN-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C26H24N4O2/c31-26(24-7-4-15-28-25(24)30-19-21-12-16-27-17-13-21)29-18-14-20-8-10-23(11-9-20)32-22-5-2-1-3-6-22/h1-13,15-17H,14,18-19H2,(H,28,30)(H,29,31)
InChIKeyQIUFOQSGIPSOJY-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.85
Rot. Bonds9

About N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10295933) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10295933
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C26H24N4O2/c31-26(24-7-4-15-28-25(24)30-19-21-12-16-27-17-13-21)29-18-14-20-8-10-23(11-9-20)32-22-5-2-1-3-6-22/h1-13,15-17H,14,18-19H2,(H,28,30)(H,29,31)
InChIKeyQIUFOQSGIPSOJY-UHFFFAOYSA-N
XLogP4.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 10136336
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10135653
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10295933) is N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QIUFOQSGIPSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(24-7-4-15-28-25(24)30-19-21-12-16-27-17-13-21)29-18-14-20-8-10-23(11-9-20)32-22-5-2-1-3-6-22/h1-13,15-17H,14,18-19H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10295933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).