4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109085533

IUPAC4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C20H25N3O2/c1-3-4-7-11-22-20(25)18-13-16(10-12-21-18)19(24)23-14-17-9-6-5-8-15(17)2/h5-6,8-10,12-13H,3-4,7,11,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRBKMZSWQTZHVSJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds8

About 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide

4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109085533) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109085533
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1
InChIInChI=1S/C20H25N3O2/c1-3-4-7-11-22-20(25)18-13-16(10-12-21-18)19(24)23-14-17-9-6-5-8-15(17)2/h5-6,8-10,12-13H,3-4,7,11,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRBKMZSWQTZHVSJ-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-N-[(2-methylphenyl)methyl]-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085642

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide (CID 109085533) is 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1cc(C(=O)NCc2ccccc2C)ccn1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is RBKMZSWQTZHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-7-11-22-20(25)18-13-16(10-12-21-18)19(24)23-14-17-9-6-5-8-15(17)2/h5-6,8-10,12-13H,3-4,7,11,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).