N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C18H21N3O2 — CID 17424831

IUPACN-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-3-5-16(11-14(13)2)20-18(22)15-4-6-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyLKERYHXBUNBUGO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.79
Rot. Bonds3

About N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 17424831) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID17424831
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-3-5-16(11-14(13)2)20-18(22)15-4-6-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyLKERYHXBUNBUGO-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

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Related Compounds

N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 31865595

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 17424831) is N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is LKERYHXBUNBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-3-5-16(11-14(13)2)20-18(22)15-4-6-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-6-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)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 17424831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).