2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide

C19H21Cl2N3O2 — CID 55786440

IUPAC2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
SMILESCC1CN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC(C)O1
InChIInChI=1S/C19H21Cl2N3O2/c1-12-10-24(11-13(2)26-12)18-6-5-16(9-22-18)23-19(25)7-14-3-4-15(20)8-17(14)21/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25)
InChIKeySBBMOZCMPGATKN-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide

2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide (PubChem CID 55786440) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
PubChem CID55786440
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
SMILESCC1CN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC(C)O1
InChIInChI=1S/C19H21Cl2N3O2/c1-12-10-24(11-13(2)26-12)18-6-5-16(9-22-18)23-19(25)7-14-3-4-15(20)8-17(14)21/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25)
InChIKeySBBMOZCMPGATKN-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide (CID 55786440) is 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide is CC1CN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC(C)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide?
The InChIKey is SBBMOZCMPGATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-12-10-24(11-13(2)26-12)18-6-5-16(9-22-18)23-19(25)7-14-3-4-15(20)8-17(14)21/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide?
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide has a molecular weight of 394.30 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 55786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).