1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C25H24N6O — CID 133276369

IUPAC1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C25H24N6O/c1-17-13-23(31-22-7-3-2-6-21(22)29-24(31)20(17)14-26)30-11-8-19(9-12-30)25(32)28-16-18-5-4-10-27-15-18/h2-7,10,13,15,19H,8-9,11-12,16H2,1H3,(H,28,32)
InChIKeyDIOWLFCPQITWEV-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133276369) 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133276369
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C25H24N6O/c1-17-13-23(31-22-7-3-2-6-21(22)29-24(31)20(17)14-26)30-11-8-19(9-12-30)25(32)28-16-18-5-4-10-27-15-18/h2-7,10,13,15,19H,8-9,11-12,16H2,1H3,(H,28,32)
InChIKeyDIOWLFCPQITWEV-UHFFFAOYSA-N
XLogP3.60
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)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-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 78898536
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
CID 99814095
methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 167975128
1-[1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidin-4-yl]-3-phenylurea
CID 60570202
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133457556
N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
CID 24632807
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133331927
3-methyl-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133341797
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133276369) is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DIOWLFCPQITWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-13-23(31-22-7-3-2-6-21(22)29-24(31)20(17)14-26)30-11-8-19(9-12-30)25(32)28-16-18-5-4-10-27-15-18/h2-7,10,13,15,19H,8-9,11-12,16H2,1H3,(H,28,32).
What are the key properties of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.60, 4 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133276369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).