3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide

C22H21N3O4 — CID 109055230

IUPAC3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccncc3)c2)c(OC)c1
InChIInChI=1S/C22H21N3O4/c1-28-18-6-7-19(20(13-18)29-2)25-22(27)17-5-3-4-16(12-17)21(26)24-14-15-8-10-23-11-9-15/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPTCYYUZDKSSKSF-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.28
Rot. Bonds7

About 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide

3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055230) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055230
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccncc3)c2)c(OC)c1
InChIInChI=1S/C22H21N3O4/c1-28-18-6-7-19(20(13-18)29-2)25-22(27)17-5-3-4-16(12-17)21(26)24-14-15-8-10-23-11-9-15/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPTCYYUZDKSSKSF-UHFFFAOYSA-N
XLogP3.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (CID 109055230) is 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NCc3ccncc3)c2)c(OC)c1.
What is the InChIKey of 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is PTCYYUZDKSSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-18-6-7-19(20(13-18)29-2)25-22(27)17-5-3-4-16(12-17)21(26)24-14-15-8-10-23-11-9-15/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).