3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide

C25H21N5O2 — CID 118716034

IUPAC3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C25H21N5O2/c1-17-2-8-21(9-3-17)30-25(32)23-22(27-14-15-28-23)24(31)29-16-18-4-6-19(7-5-18)20-10-12-26-13-11-20/h2-15H,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyISPVKCZBFORKBO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.03
Rot. Bonds6

About 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide

3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide (PubChem CID 118716034) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
PubChem CID118716034
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C25H21N5O2/c1-17-2-8-21(9-3-17)30-25(32)23-22(27-14-15-28-23)24(31)29-16-18-4-6-19(7-5-18)20-10-12-26-13-11-20/h2-15H,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyISPVKCZBFORKBO-UHFFFAOYSA-N
XLogP4.03
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382
3-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070723
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide (CID 118716034) is 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide is Cc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide?
The InChIKey is ISPVKCZBFORKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-17-2-8-21(9-3-17)30-25(32)23-22(27-14-15-28-23)24(31)29-16-18-4-6-19(7-5-18)20-10-12-26-13-11-20/h2-15H,16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide?
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 118716034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).