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

C19H23N3O2 — CID 109079203

IUPAC4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H23N3O2/c1-3-4-10-21-18(23)15-9-11-20-17(12-15)19(24)22-13-16-8-6-5-7-14(16)2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCMSCNAXEJHFZOQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.85
Rot. Bonds7

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

4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109079203) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109079203
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H23N3O2/c1-3-4-10-21-18(23)15-9-11-20-17(12-15)19(24)22-13-16-8-6-5-7-14(16)2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCMSCNAXEJHFZOQ-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.85
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-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
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
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
2-N-[(2-methylphenyl)methyl]-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085642
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide (CID 109079203) is 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is CMSCNAXEJHFZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-10-21-18(23)15-9-11-20-17(12-15)19(24)22-13-16-8-6-5-7-14(16)2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).