3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide

C22H18N4O — CID 46287897

IUPAC3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C22H18N4O/c1-15-8-10-17(11-9-15)21-20(18-6-2-3-7-19(18)25-26-21)22(27)24-14-16-5-4-12-23-13-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTMLZYNGFUYECR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.93
Rot. Bonds4

About 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide

3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide (PubChem CID 46287897) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
PubChem CID46287897
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C22H18N4O/c1-15-8-10-17(11-9-15)21-20(18-6-2-3-7-19(18)25-26-21)22(27)24-14-16-5-4-12-23-13-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTMLZYNGFUYECR-UHFFFAOYSA-N
XLogP3.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073
2-oxido-4-phenyl-N-(pyridin-3-ylmethyl)-1,2,5-oxadiazol-2-ium-3-carboxamide
CID 10266552
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide (CID 46287897) is 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide is Cc1ccc(-c2nnc3ccccc3c2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide?
The InChIKey is HTMLZYNGFUYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15-8-10-17(11-9-15)21-20(18-6-2-3-7-19(18)25-26-21)22(27)24-14-16-5-4-12-23-13-16/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide?
3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide is sourced from PubChem (CID 46287897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).