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

C19H21N5O — CID 24632798

IUPAC2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C19H21N5O/c1-4-9-21-17(25)12-23(3)18-10-13(2)14(11-20)19-22-15-7-5-6-8-16(15)24(18)19/h5-8,10H,4,9,12H2,1-3H3,(H,21,25)
InChIKeyLTIAVJFEIMQCGB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.63
Rot. Bonds5

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

2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide (PubChem CID 24632798) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide
PubChem CID24632798
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(C#N)c2nc3ccccc3n12
InChIInChI=1S/C19H21N5O/c1-4-9-21-17(25)12-23(3)18-10-13(2)14(11-20)19-22-15-7-5-6-8-16(15)24(18)19/h5-8,10H,4,9,12H2,1-3H3,(H,21,25)
InChIKeyLTIAVJFEIMQCGB-UHFFFAOYSA-N
XLogP2.63
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide (CID 24632798) is 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(C)c(C#N)c2nc3ccccc3n12.
What is the InChIKey of 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide?
The InChIKey is LTIAVJFEIMQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-4-9-21-17(25)12-23(3)18-10-13(2)14(11-20)19-22-15-7-5-6-8-16(15)24(18)19/h5-8,10H,4,9,12H2,1-3H3,(H,21,25).
What are the key properties of 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide?
2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 24632798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).