1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide

C23H26N6O2 — CID 53156847

IUPAC1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)nc1
InChIInChI=1S/C23H26N6O2/c1-17(30)26-20-7-8-22(24-13-20)29-15-21(25-16-29)23(31)27-19-9-11-28(12-10-19)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyLLQYCFDQKUGUGL-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.62
Rot. Bonds6

About 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide

1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53156847) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53156847
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)nc1
InChIInChI=1S/C23H26N6O2/c1-17(30)26-20-7-8-22(24-13-20)29-15-21(25-16-29)23(31)27-19-9-11-28(12-10-19)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyLLQYCFDQKUGUGL-UHFFFAOYSA-N
XLogP2.62
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156985
N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156979
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[4-[2-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110985917
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide (CID 53156847) is 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide is CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)nc1.
What is the InChIKey of 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is LLQYCFDQKUGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-17(30)26-20-7-8-22(24-13-20)29-15-21(25-16-29)23(31)27-19-9-11-28(12-10-19)14-18-5-3-2-4-6-18/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide?
1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53156847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).