3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide

C21H18ClN3O2 — CID 109105042

IUPAC3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14-9-18(22)7-8-19(14)25-21(27)17-10-16(12-23-13-17)20(26)24-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyQCUWLXREVHWGPQ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.23
Rot. Bonds5

About 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105042) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105042
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14-9-18(22)7-8-19(14)25-21(27)17-10-16(12-23-13-17)20(26)24-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyQCUWLXREVHWGPQ-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
5-N-(2,4-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105208
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide (CID 109105042) is 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is QCUWLXREVHWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-9-18(22)7-8-19(14)25-21(27)17-10-16(12-23-13-17)20(26)24-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).