N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide

C25H27N3O3 — CID 71044289

IUPACN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(O)cc1
InChIInChI=1S/C25H27N3O3/c1-16-14-28(15-17(2)31-16)24-12-9-20(13-26-24)27-25(30)23-6-4-5-22(18(23)3)19-7-10-21(29)11-8-19/h4-13,16-17,29H,14-15H2,1-3H3,(H,27,30)/t16-,17+
InChIKeyLFEFOGZTXJZHFJ-CALCHBBNSA-N
MW417.51 g/mol
LogP4.63
Rot. Bonds4

About N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide

N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide (PubChem CID 71044289) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
PubChem CID71044289
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(O)cc1
InChIInChI=1S/C25H27N3O3/c1-16-14-28(15-17(2)31-16)24-12-9-20(13-26-24)27-25(30)23-6-4-5-22(18(23)3)19-7-10-21(29)11-8-19/h4-13,16-17,29H,14-15H2,1-3H3,(H,27,30)/t16-,17+
InChIKeyLFEFOGZTXJZHFJ-CALCHBBNSA-N
XLogP4.63
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide (CID 71044289) is N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide is Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(O)cc1.
What is the InChIKey of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is LFEFOGZTXJZHFJ-CALCHBBNSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-14-28(15-17(2)31-16)24-12-9-20(13-26-24)27-25(30)23-6-4-5-22(18(23)3)19-7-10-21(29)11-8-19/h4-13,16-17,29H,14-15H2,1-3H3,(H,27,30)/t16-,17+.
What are the key properties of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide?
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 71044289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).