3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide

C17H23N5O2 — CID 155242486

IUPAC3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide
SMILESCCCCCCn1c(C(=O)NCc2ccccn2)cnc1C(N)=O
InChIInChI=1S/C17H23N5O2/c1-2-3-4-7-10-22-14(12-20-16(22)15(18)23)17(24)21-11-13-8-5-6-9-19-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H2,18,23)(H,21,24)
InChIKeyKRLPOYVVJRHOBF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.89
Rot. Bonds9

About 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide

3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide (PubChem CID 155242486) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide.

Molecular Properties

Compound Name3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide
PubChem CID155242486
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide
SMILESCCCCCCn1c(C(=O)NCc2ccccn2)cnc1C(N)=O
InChIInChI=1S/C17H23N5O2/c1-2-3-4-7-10-22-14(12-20-16(22)15(18)23)17(24)21-11-13-8-5-6-9-19-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H2,18,23)(H,21,24)
InChIKeyKRLPOYVVJRHOBF-UHFFFAOYSA-N
XLogP1.89
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide?
The IUPAC name of 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide (CID 155242486) is 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide.
What is the SMILES notation for 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide?
The canonical SMILES for 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide is CCCCCCn1c(C(=O)NCc2ccccn2)cnc1C(N)=O.
What is the InChIKey of 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide?
The InChIKey is KRLPOYVVJRHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-3-4-7-10-22-14(12-20-16(22)15(18)23)17(24)21-11-13-8-5-6-9-19-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H2,18,23)(H,21,24).
What are the key properties of 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide?
3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-4-N-(pyridin-2-ylmethyl)imidazole-2,4-dicarboxamide is sourced from PubChem (CID 155242486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).