3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile

C20H17N5 — CID 166272952

IUPAC3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)nc1
InChIInChI=1S/C20H17N5/c1-13-7-8-15(22-11-13)12-23-19-9-14(2)16(10-21)20-24-17-5-3-4-6-18(17)25(19)20/h3-9,11,23H,12H2,1-2H3
InChIKeyKZEJSSYFFKOMJO-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.98
Rot. Bonds3

About 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 166272952) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID166272952
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)nc1
InChIInChI=1S/C20H17N5/c1-13-7-8-15(22-11-13)12-23-19-9-14(2)16(10-21)20-24-17-5-3-4-6-18(17)25(19)20/h3-9,11,23H,12H2,1-2H3
InChIKeyKZEJSSYFFKOMJO-UHFFFAOYSA-N
XLogP3.98
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(butylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112193
3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4745158
2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-dimethylazanium
CID 4086177
3-methyl-1-[(3,4,5-trimethoxyphenyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 33373322
3-methyl-1-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706064
1-[2-(diethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 689389
1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60506344
3-methyl-1-[3-[(R)-methylsulfinyl]propylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 95309621
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133449504
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
3-methyl-1-[2-(oxolan-2-ylmethoxy)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133315015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 166272952) is 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1ccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)nc1.
What is the InChIKey of 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is KZEJSSYFFKOMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-13-7-8-15(22-11-13)12-23-19-9-14(2)16(10-21)20-24-17-5-3-4-6-18(17)25(19)20/h3-9,11,23H,12H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-2-pyridinyl)methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 166272952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).