4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide

C21H19N3O3 — CID 109086890

IUPAC4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyQJWBLFPYGTVXBV-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.27
Rot. Bonds6

About 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide

4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109086890) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109086890
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyQJWBLFPYGTVXBV-UHFFFAOYSA-N
XLogP3.27
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide (CID 109086890) is 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide is COc1ccc(CNC(=O)c2ccnc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is QJWBLFPYGTVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-18-9-7-15(8-10-18)14-23-20(25)16-11-12-22-19(13-16)21(26)24-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).