1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide

C19H19N5O2 — CID 66623714

IUPAC1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)c2C(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C19H19N5O2/c1-12-5-6-15(13(2)8-12)24-11-23-16(18(20)25)17(24)19(26)22-10-14-4-3-7-21-9-14/h3-9,11H,10H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyHMYZQSHCALHYTI-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide

1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide (PubChem CID 66623714) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide
PubChem CID66623714
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)c2C(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C19H19N5O2/c1-12-5-6-15(13(2)8-12)24-11-23-16(18(20)25)17(24)19(26)22-10-14-4-3-7-21-9-14/h3-9,11H,10H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyHMYZQSHCALHYTI-UHFFFAOYSA-N
XLogP1.91
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42880908
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide (CID 66623714) is 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide is Cc1ccc(-n2cnc(C(N)=O)c2C(=O)NCc2cccnc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide?
The InChIKey is HMYZQSHCALHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-5-6-15(13(2)8-12)24-11-23-16(18(20)25)17(24)19(26)22-10-14-4-3-7-21-9-14/h3-9,11H,10H2,1-2H3,(H2,20,25)(H,22,26).
What are the key properties of 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide?
1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).