2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide

C22H21N3O4 — CID 109091438

IUPAC2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C(=O)N(C)c3ccccc3)ccn2)c1
InChIInChI=1S/C22H21N3O4/c1-25(16-7-5-4-6-8-16)22(27)15-11-12-23-19(13-15)21(26)24-18-14-17(28-2)9-10-20(18)29-3/h4-14H,1-3H3,(H,24,26)
InChIKeyYFBYYACGBGFVRX-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.63
Rot. Bonds6

About 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide

2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109091438) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109091438
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C(=O)N(C)c3ccccc3)ccn2)c1
InChIInChI=1S/C22H21N3O4/c1-25(16-7-5-4-6-8-16)22(27)15-11-12-23-19(13-15)21(26)24-18-14-17(28-2)9-10-20(18)29-3/h4-14H,1-3H3,(H,24,26)
InChIKeyYFBYYACGBGFVRX-UHFFFAOYSA-N
XLogP3.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091430
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092655
2-N-(2-tert-butylphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091415
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500
N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266003
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197597
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092996
1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057036
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (CID 109091438) is 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide is COc1ccc(OC)c(NC(=O)c2cc(C(=O)N(C)c3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is YFBYYACGBGFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-25(16-7-5-4-6-8-16)22(27)15-11-12-23-19(13-15)21(26)24-18-14-17(28-2)9-10-20(18)29-3/h4-14H,1-3H3,(H,24,26).
What are the key properties of 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).