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

C20H21N5O — CID 24632833

IUPAC1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1
InChIInChI=1S/C20H21N5O/c1-13-11-18(24-9-7-14(8-10-24)20(26)22-2)25-17-6-4-3-5-16(17)23-19(25)15(13)12-21/h3-6,11,14H,7-10H2,1-2H3,(H,22,26)
InChIKeyKAIFLPSYLIWDOO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.63
Rot. Bonds2

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

1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 24632833) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
PubChem CID24632833
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1
InChIInChI=1S/C20H21N5O/c1-13-11-18(24-9-7-14(8-10-24)20(26)22-2)25-17-6-4-3-5-16(17)23-19(25)15(13)12-21/h3-6,11,14H,7-10H2,1-2H3,(H,22,26)
InChIKeyKAIFLPSYLIWDOO-UHFFFAOYSA-N
XLogP2.63
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
CID 99814095
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 167975128
N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
CID 24632807
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133474956
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
2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417256

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide (CID 24632833) is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1.
What is the InChIKey of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KAIFLPSYLIWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-18(24-9-7-14(8-10-24)20(26)22-2)25-17-6-4-3-5-16(17)23-19(25)15(13)12-21/h3-6,11,14H,7-10H2,1-2H3,(H,22,26).
What are the key properties of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide?
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).