5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide

C18H19Cl2N3O2 — CID 109107398

IUPAC5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-4-8-23(2)18(25)13-9-12(10-21-11-13)17(24)22-15-7-5-6-14(19)16(15)20/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyKTHQSVXCSPBFCJ-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.51
Rot. Bonds6

About 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109107398) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109107398
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-3-4-8-23(2)18(25)13-9-12(10-21-11-13)17(24)22-15-7-5-6-14(19)16(15)20/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyKTHQSVXCSPBFCJ-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide (CID 109107398) is 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is KTHQSVXCSPBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-4-8-23(2)18(25)13-9-12(10-21-11-13)17(24)22-15-7-5-6-14(19)16(15)20/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,24).
What are the key properties of 5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.51, 6 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-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).