N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide

C16H15Cl2N3O2 — CID 109184910

IUPACN-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(15(12)18)20-16(22)14-5-4-11(10-19-14)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,20,22)
InChIKeyOYQDADLPAFTATN-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.48
Rot. Bonds3

About N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide

N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 109184910) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
PubChem CID109184910
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(15(12)18)20-16(22)14-5-4-11(10-19-14)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,20,22)
InChIKeyOYQDADLPAFTATN-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide (CID 109184910) is N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is OYQDADLPAFTATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(15(12)18)20-16(22)14-5-4-11(10-19-14)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 109184910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).