4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

C18H21N3O3 — CID 109082390

IUPAC4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccn1
InChIInChI=1S/C18H21N3O3/c1-12-4-5-13(2)15(10-12)21-17(22)14-6-7-19-16(11-14)18(23)20-8-9-24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLSDCRQQFMPIICI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds6

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

4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109082390) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109082390
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccn1
InChIInChI=1S/C18H21N3O3/c1-12-4-5-13(2)15(10-12)21-17(22)14-6-7-19-16(11-14)18(23)20-8-9-24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLSDCRQQFMPIICI-UHFFFAOYSA-N
XLogP2.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(2,5-dimethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085714
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109082390) is 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is COCCNC(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccn1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is LSDCRQQFMPIICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-5-13(2)15(10-12)21-17(22)14-6-7-19-16(11-14)18(23)20-8-9-24-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).