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

C23H25N5O2 — CID 71275008

IUPAC1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide
SMILESCc1c(C2CCOC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H25N5O2/c1-14-20(16-8-11-30-13-16)17(12-24)22-26-18-4-2-3-5-19(18)28(22)23(14)27-9-6-15(7-10-27)21(25)29/h2-5,15-16H,6-11,13H2,1H3,(H2,25,29)
InChIKeyIWUPFYDPIGZRCF-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.87
Rot. Bonds3

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

1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide (PubChem CID 71275008) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide
PubChem CID71275008
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide
SMILESCc1c(C2CCOC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H25N5O2/c1-14-20(16-8-11-30-13-16)17(12-24)22-26-18-4-2-3-5-19(18)28(22)23(14)27-9-6-15(7-10-27)21(25)29/h2-5,15-16H,6-11,13H2,1H3,(H2,25,29)
InChIKeyIWUPFYDPIGZRCF-UHFFFAOYSA-N
XLogP2.87
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide (CID 71275008) is 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide is Cc1c(C2CCOC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide?
The InChIKey is IWUPFYDPIGZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-20(16-8-11-30-13-16)17(12-24)22-26-18-4-2-3-5-19(18)28(22)23(14)27-9-6-15(7-10-27)21(25)29/h2-5,15-16H,6-11,13H2,1H3,(H2,25,29).
What are the key properties of 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide?
1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-methyl-3-(oxolan-3-yl)pyrido[1,2-a]benzimidazol-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71275008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).