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

C23H23N3O3 — CID 109055227

IUPAC3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C23H23N3O3/c1-16(2)29-21-9-4-3-8-20(21)26-23(28)19-7-5-6-18(14-19)22(27)25-15-17-10-12-24-13-11-17/h3-14,16H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXRFOYPBUVHLJFQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.05
Rot. Bonds7

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

3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055227) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055227
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C23H23N3O3/c1-16(2)29-21-9-4-3-8-20(21)26-23(28)19-7-5-6-18(14-19)22(27)25-15-17-10-12-24-13-11-17/h3-14,16H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXRFOYPBUVHLJFQ-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087668
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide (CID 109055227) is 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is CC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is XRFOYPBUVHLJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(2)29-21-9-4-3-8-20(21)26-23(28)19-7-5-6-18(14-19)22(27)25-15-17-10-12-24-13-11-17/h3-14,16H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).