2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide

C21H26N4O3 — CID 109083747

IUPAC2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(=O)NCCN3CCOCC3)ccn2)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-4-16(2)18(13-15)24-21(27)19-14-17(5-6-22-19)20(26)23-7-8-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMEDTYUDTHBXFNE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.01
Rot. Bonds6

About 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide

2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083747) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
PubChem CID109083747
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(=O)NCCN3CCOCC3)ccn2)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-4-16(2)18(13-15)24-21(27)19-14-17(5-6-22-19)20(26)23-7-8-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMEDTYUDTHBXFNE-UHFFFAOYSA-N
XLogP2.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
CID 109167966
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide (CID 109083747) is 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide is Cc1ccc(C)c(NC(=O)c2cc(C(=O)NCCN3CCOCC3)ccn2)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is MEDTYUDTHBXFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-3-4-16(2)18(13-15)24-21(27)19-14-17(5-6-22-19)20(26)23-7-8-25-9-11-28-12-10-25/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).