4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide

C20H16ClN3O3 — CID 109090928

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-8-7-15(12-16(18)21)24-19(25)13-9-10-22-17(11-13)20(26)23-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyVUDQZKTUSDMYGY-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

About 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide

4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109090928) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109090928
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-8-7-15(12-16(18)21)24-19(25)13-9-10-22-17(11-13)20(26)23-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyVUDQZKTUSDMYGY-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide (CID 109090928) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is VUDQZKTUSDMYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-18-8-7-15(12-16(18)21)24-19(25)13-9-10-22-17(11-13)20(26)23-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).