1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C25H24N6O — CID 78898536

IUPAC1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)nc1
InChIInChI=1S/C25H24N6O/c1-16-7-8-22(27-15-16)29-25(32)18-9-11-30(12-10-18)23-13-17(2)19(14-26)24-28-20-5-3-4-6-21(20)31(23)24/h3-8,13,15,18H,9-12H2,1-2H3,(H,27,29,32)
InChIKeyDPKHGFKPKOAYJT-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.23
Rot. Bonds3

About 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 78898536) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID78898536
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)nc1
InChIInChI=1S/C25H24N6O/c1-16-7-8-22(27-15-16)29-25(32)18-9-11-30(12-10-18)23-13-17(2)19(14-26)24-28-20-5-3-4-6-21(20)31(23)24/h3-8,13,15,18H,9-12H2,1-2H3,(H,27,29,32)
InChIKeyDPKHGFKPKOAYJT-UHFFFAOYSA-N
XLogP4.23
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276369
1-[1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidin-4-yl]-3-phenylurea
CID 60570202
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
CID 24632807
2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417256
methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 167975128
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24632802
1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726811
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133331927

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 78898536) is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)nc1.
What is the InChIKey of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is DPKHGFKPKOAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-7-8-22(27-15-16)29-25(32)18-9-11-30(12-10-18)23-13-17(2)19(14-26)24-28-20-5-3-4-6-21(20)31(23)24/h3-8,13,15,18H,9-12H2,1-2H3,(H,27,29,32).
What are the key properties of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 78898536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).