5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide

C20H24ClN3O2 — CID 109106596

IUPAC5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-3-4-11-24(2)20(26)17-12-16(13-22-14-17)19(25)23-10-9-15-5-7-18(21)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,23,25)
InChIKeyGNKCWPLBJMMXCA-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.58
Rot. Bonds8

About 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109106596) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109106596
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-3-4-11-24(2)20(26)17-12-16(13-22-14-17)19(25)23-10-9-15-5-7-18(21)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,23,25)
InChIKeyGNKCWPLBJMMXCA-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide (CID 109106596) is 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is GNKCWPLBJMMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-4-11-24(2)20(26)17-12-16(13-22-14-17)19(25)23-10-9-15-5-7-18(21)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,23,25).
What are the key properties of 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).