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

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

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Related Compounds

1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide;hydrochloride
CID 158631686
1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide
CID 71275008
3-(azetidin-3-yl)-1-(4-cyanopiperidin-1-yl)-2-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71275135
ethyl 1-[4-cyano-2-methyl-3-(oxan-4-yl)pyrido[1,2-a]benzimidazol-1-yl]azepane-4-carboxylate;hydrochloride
CID 162338755
1-(4-cyanopiperidin-1-yl)-2-methyl-3-(thian-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71275043
ethyl 1-(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 3747471
3-methyl-1-piperazin-1-yl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71274889
12-methoxy-16-piperazin-1-yl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 71274898
16-piperazin-1-yl-13-oxa-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 71274908
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
10-piperazin-1-yl-11,18-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(18),2,9,12,14,16-hexaene-2-carbonitrile
CID 71274897
2-[(4-fluorophenyl)methyl]-3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71274901

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).