N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C25H28N4O2 — CID 58447729

IUPACN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cn3)cc2)ccn1
InChIInChI=1S/C25H28N4O2/c1-17-12-22(10-11-26-17)21-6-4-20(5-7-21)13-25(30)28-24-9-8-23(14-27-24)29-15-18(2)31-19(3)16-29/h4-12,14,18-19H,13,15-16H2,1-3H3,(H,27,28,30)/t18-,19+
InChIKeyGEAVZEGGEKRJRI-KDURUIRLSA-N
MW416.53 g/mol
LogP4.25
Rot. Bonds5

About N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 58447729) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID58447729
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cn3)cc2)ccn1
InChIInChI=1S/C25H28N4O2/c1-17-12-22(10-11-26-17)21-6-4-20(5-7-21)13-25(30)28-24-9-8-23(14-27-24)29-15-18(2)31-19(3)16-29/h4-12,14,18-19H,13,15-16H2,1-3H3,(H,27,28,30)/t18-,19+
InChIKeyGEAVZEGGEKRJRI-KDURUIRLSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 58447729) is N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cn3)cc2)ccn1.
What is the InChIKey of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is GEAVZEGGEKRJRI-KDURUIRLSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-12-22(10-11-26-17)21-6-4-20(5-7-21)13-25(30)28-24-9-8-23(14-27-24)29-15-18(2)31-19(3)16-29/h4-12,14,18-19H,13,15-16H2,1-3H3,(H,27,28,30)/t18-,19+.
What are the key properties of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 58447729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).