N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide

C18H21N3O2 — CID 109228634

IUPACN-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N3CCOCC3)c2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-3-4-16(9-14(13)2)20-18(22)15-10-17(12-19-11-15)21-5-7-23-8-6-21/h3-4,9-12H,5-8H2,1-2H3,(H,20,22)
InChIKeyMHJRSDXQFNNBFS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.79
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 109228634) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID109228634
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(N3CCOCC3)c2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-3-4-16(9-14(13)2)20-18(22)15-10-17(12-19-11-15)21-5-7-23-8-6-21/h3-4,9-12H,5-8H2,1-2H3,(H,20,22)
InChIKeyMHJRSDXQFNNBFS-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228561
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide (CID 109228634) is N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(N3CCOCC3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is MHJRSDXQFNNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-3-4-16(9-14(13)2)20-18(22)15-10-17(12-19-11-15)21-5-7-23-8-6-21/h3-4,9-12H,5-8H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 109228634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).