1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide

C24H28N6O — CID 71274989

IUPAC1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide
SMILESCc1c(C2CCNCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H28N6O/c1-15-21(16-6-10-27-11-7-16)18(14-25)23-28-19-4-2-3-5-20(19)30(23)24(15)29-12-8-17(9-13-29)22(26)31/h2-5,16-17,27H,6-13H2,1H3,(H2,26,31)
InChIKeyNDPBKOOTUPLBRM-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide

1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide (PubChem CID 71274989) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide
PubChem CID71274989
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide
SMILESCc1c(C2CCNCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H28N6O/c1-15-21(16-6-10-27-11-7-16)18(14-25)23-28-19-4-2-3-5-20(19)30(23)24(15)29-12-8-17(9-13-29)22(26)31/h2-5,16-17,27H,6-13H2,1H3,(H2,26,31)
InChIKeyNDPBKOOTUPLBRM-UHFFFAOYSA-N
XLogP2.84
TPSA99.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide (CID 71274989) is 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide is Cc1c(C2CCNCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide?
The InChIKey is NDPBKOOTUPLBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-15-21(16-6-10-27-11-7-16)18(14-25)23-28-19-4-2-3-5-20(19)30(23)24(15)29-12-8-17(9-13-29)22(26)31/h2-5,16-17,27H,6-13H2,1H3,(H2,26,31).
What are the key properties of 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide?
1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methyl-3-piperidin-4-ylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).