4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide

C23H30N4O2 — CID 109079331

IUPAC4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H30N4O2/c1-3-4-12-25-22(28)18-9-13-24-21(16-18)23(29)26-19-5-7-20(8-6-19)27-14-10-17(2)11-15-27/h5-9,13,16-17H,3-4,10-12,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRJLFGQVEDSNJA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.10
Rot. Bonds7

About 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide

4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109079331) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109079331
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H30N4O2/c1-3-4-12-25-22(28)18-9-13-24-21(16-18)23(29)26-19-5-7-20(8-6-19)27-14-10-17(2)11-15-27/h5-9,13,16-17H,3-4,10-12,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRJLFGQVEDSNJA-UHFFFAOYSA-N
XLogP4.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide (CID 109079331) is 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is JRJLFGQVEDSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-4-12-25-22(28)18-9-13-24-21(16-18)23(29)26-19-5-7-20(8-6-19)27-14-10-17(2)11-15-27/h5-9,13,16-17H,3-4,10-12,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.10, 7 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-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).