6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

C20H25N3O3 — CID 94526475

IUPAC6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@H](C)O1
InChIInChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)19-8-5-17(11-22-19)20(25)21-10-9-16-3-6-18(24)7-4-16/h3-8,11,14-15,24H,9-10,12-13H2,1-2H3,(H,21,25)/t14-,15+
InChIKeyWICOWVVKLDOVHW-GASCZTMLSA-N
MW355.44 g/mol
LogP2.37
Rot. Bonds5

About 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 94526475) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID94526475
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@H](C)O1
InChIInChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)19-8-5-17(11-22-19)20(25)21-10-9-16-3-6-18(24)7-4-16/h3-8,11,14-15,24H,9-10,12-13H2,1-2H3,(H,21,25)/t14-,15+
InChIKeyWICOWVVKLDOVHW-GASCZTMLSA-N
XLogP2.37
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (CID 94526475) is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(=O)NCCc3ccc(O)cc3)cn2)C[C@H](C)O1.
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is WICOWVVKLDOVHW-GASCZTMLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)19-8-5-17(11-22-19)20(25)21-10-9-16-3-6-18(24)7-4-16/h3-8,11,14-15,24H,9-10,12-13H2,1-2H3,(H,21,25)/t14-,15+.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 94526475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).