N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide

C23H24N4O2 — CID 44772342

IUPACN-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(N2CCCC2c2ccccn2)nc1
InChIInChI=1S/C23H24N4O2/c28-19-9-6-17(7-10-19)12-14-25-23(29)18-8-11-22(26-16-18)27-15-3-5-21(27)20-4-1-2-13-24-20/h1-2,4,6-11,13,16,21,28H,3,5,12,14-15H2,(H,25,29)
InChIKeyMIVZVYOOFXXFNV-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 44772342) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID44772342
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(N2CCCC2c2ccccn2)nc1
InChIInChI=1S/C23H24N4O2/c28-19-9-6-17(7-10-19)12-14-25-23(29)18-8-11-22(26-16-18)27-15-3-5-21(27)20-4-1-2-13-24-20/h1-2,4,6-11,13,16,21,28H,3,5,12,14-15H2,(H,25,29)
InChIKeyMIVZVYOOFXXFNV-UHFFFAOYSA-N
XLogP3.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 44773304
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 84570544
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 134804109
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-propylpyridine-3-carboxamide
CID 75463725
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
CID 45214399
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117091607
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 44772342) is N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccc(N2CCCC2c2ccccn2)nc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is MIVZVYOOFXXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-19-9-6-17(7-10-19)12-14-25-23(29)18-8-11-22(26-16-18)27-15-3-5-21(27)20-4-1-2-13-24-20/h1-2,4,6-11,13,16,21,28H,3,5,12,14-15H2,(H,25,29).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44772342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).