2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide

C21H19ClN4O2 — CID 109092885

IUPAC2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)18-9-7-17(8-10-18)24-20(27)14-11-12-23-19(13-14)21(28)25-16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXBCCKLCVXELHF-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.31
Rot. Bonds5

About 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide

2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109092885) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109092885
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)18-9-7-17(8-10-18)24-20(27)14-11-12-23-19(13-14)21(28)25-16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXBCCKLCVXELHF-UHFFFAOYSA-N
XLogP4.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
4-N-[4-(dimethylamino)phenyl]-2-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092240
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092996
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide (CID 109092885) is 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide is CN(C)c1ccc(NC(=O)c2ccnc(C(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is PXBCCKLCVXELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26(2)18-9-7-17(8-10-18)24-20(27)14-11-12-23-19(13-14)21(28)25-16-5-3-15(22)4-6-16/h3-13H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide?
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).