2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide

C19H23N3O3 — CID 109082650

IUPAC2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C19H23N3O3/c1-14-6-3-4-7-16(14)13-22-18(23)15-8-10-20-17(12-15)19(24)21-9-5-11-25-2/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUUMAVGOROFUEDS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.09
Rot. Bonds8

About 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide

2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109082650) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109082650
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C19H23N3O3/c1-14-6-3-4-7-16(14)13-22-18(23)15-8-10-20-17(12-15)19(24)21-9-5-11-25-2/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUUMAVGOROFUEDS-UHFFFAOYSA-N
XLogP2.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.09
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-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109082650) is 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is COCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1.
What is the InChIKey of 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is UUMAVGOROFUEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-6-3-4-7-16(14)13-22-18(23)15-8-10-20-17(12-15)19(24)21-9-5-11-25-2/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).