3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

C21H19ClN4O2 — CID 109106473

IUPAC3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN4O2/c1-26(11-8-15-6-9-23-10-7-15)21(28)17-12-16(13-24-14-17)20(27)25-19-5-3-2-4-18(19)22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,27)
InChIKeyWDFMFEZRXYXJEG-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.70
Rot. Bonds6

About 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106473) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109106473
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN4O2/c1-26(11-8-15-6-9-23-10-7-15)21(28)17-12-16(13-24-14-17)20(27)25-19-5-3-2-4-18(19)22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,27)
InChIKeyWDFMFEZRXYXJEG-UHFFFAOYSA-N
XLogP3.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109106473) is 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is CN(CCc1ccncc1)C(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is WDFMFEZRXYXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26(11-8-15-6-9-23-10-7-15)21(28)17-12-16(13-24-14-17)20(27)25-19-5-3-2-4-18(19)22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,27).
What are the key properties of 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).