4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

C18H18N4O2 — CID 109079363

IUPAC4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N4O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-15-7-5-4-6-14(15)12-19/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyFLSMNSBIEJXHCW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.74
Rot. Bonds6

About 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide

4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079363) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109079363
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N4O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-15-7-5-4-6-14(15)12-19/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyFLSMNSBIEJXHCW-UHFFFAOYSA-N
XLogP2.74
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.74
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

2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077777
4-N-(2-cyanophenyl)-2-N-(2-ethyl-6-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092426
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109079363) is 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is FLSMNSBIEJXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-15-7-5-4-6-14(15)12-19/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).