4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C19H21N3O3 — CID 109083312

IUPAC4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)22-18(23)14-8-9-20-17(11-14)19(24)21-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYEDWQXYPSHKRJQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds5

About 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083312) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083312
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)22-18(23)14-8-9-20-17(11-14)19(24)21-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYEDWQXYPSHKRJQ-UHFFFAOYSA-N
XLogP2.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083227
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083331
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083312) is 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is YEDWQXYPSHKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-4-6-15(7-5-13)22-18(23)14-8-9-20-17(11-14)19(24)21-12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).