2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide

C19H22ClN3O2 — CID 109079488

IUPAC2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C19H22ClN3O2/c1-4-5-7-22-19(25)16-11-14(6-8-21-16)18(24)23-17-13(3)9-12(2)10-15(17)20/h6,8-11H,4-5,7H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDGTZEMWYQXBSJN-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.13
Rot. Bonds6

About 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide

2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079488) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109079488
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C19H22ClN3O2/c1-4-5-7-22-19(25)16-11-14(6-8-21-16)18(24)23-17-13(3)9-12(2)10-15(17)20/h6,8-11H,4-5,7H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDGTZEMWYQXBSJN-UHFFFAOYSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.13
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-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090075
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109079488) is 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DGTZEMWYQXBSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-5-7-22-19(25)16-11-14(6-8-21-16)18(24)23-17-13(3)9-12(2)10-15(17)20/h6,8-11H,4-5,7H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).