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

C21H18ClN3O2 — CID 109085349

IUPAC4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C21H18ClN3O2/c1-14-11-17(22)7-8-18(14)25-21(27)19-12-16(9-10-23-19)20(26)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPYXJOQVUOVJXDN-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.23
Rot. Bonds5

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

4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085349) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109085349
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C21H18ClN3O2/c1-14-11-17(22)7-8-18(14)25-21(27)19-12-16(9-10-23-19)20(26)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPYXJOQVUOVJXDN-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

4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109085349) is 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is PYXJOQVUOVJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-11-17(22)7-8-18(14)25-21(27)19-12-16(9-10-23-19)20(26)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-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 4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).