2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C18H20ClN3O2 — CID 56869037

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O2/c1-21(2)18(23)15-4-3-9-20-17(15)22-10-11-24-16(12-22)13-5-7-14(19)8-6-13/h3-9,16H,10-12H2,1-2H3
InChIKeyOZGSRDNAVDMUHV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.01
Rot. Bonds3

About 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide

2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 56869037) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID56869037
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O2/c1-21(2)18(23)15-4-3-9-20-17(15)22-10-11-24-16(12-22)13-5-7-14(19)8-6-13/h3-9,16H,10-12H2,1-2H3
InChIKeyOZGSRDNAVDMUHV-UHFFFAOYSA-N
XLogP3.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 56869037) is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is OZGSRDNAVDMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-21(2)18(23)15-4-3-9-20-17(15)22-10-11-24-16(12-22)13-5-7-14(19)8-6-13/h3-9,16H,10-12H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 56869037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).