N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C16H21N3O — CID 113200772

IUPACN,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(CC)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C16H21N3O/c1-3-18(4-2)16(20)12-8-9-13-14(11-12)19-10-6-5-7-15(19)17-13/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyPXHNWGHWEPLIQK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.31
Rot. Bonds3

About N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200772) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200772
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(CC)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C16H21N3O/c1-3-18(4-2)16(20)12-8-9-13-14(11-12)19-10-6-5-7-15(19)17-13/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyPXHNWGHWEPLIQK-UHFFFAOYSA-N
XLogP2.31
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200772) is N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CCN(CC)C(=O)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is PXHNWGHWEPLIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18(4-2)16(20)12-8-9-13-14(11-12)19-10-6-5-7-15(19)17-13/h5-7,10,12H,3-4,8-9,11H2,1-2H3.
What are the key properties of N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).