3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C16H21N3O — CID 113201080

IUPAC3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCCNC(=O)C1CCc2nc3cc(C)ccn3c2C1
InChIInChI=1S/C16H21N3O/c1-3-7-17-16(20)12-4-5-13-14(10-12)19-8-6-11(2)9-15(19)18-13/h6,8-9,12H,3-5,7,10H2,1-2H3,(H,17,20)
InChIKeyGKVQXKAKGSPLJK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds3

About 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113201080) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113201080
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCCNC(=O)C1CCc2nc3cc(C)ccn3c2C1
InChIInChI=1S/C16H21N3O/c1-3-7-17-16(20)12-4-5-13-14(10-12)19-8-6-11(2)9-15(19)18-13/h6,8-9,12H,3-5,7,10H2,1-2H3,(H,17,20)
InChIKeyGKVQXKAKGSPLJK-UHFFFAOYSA-N
XLogP2.27
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201125
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201127
N-[4-(diethylamino)phenyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201225
N-(4-bromo-2-methylphenyl)-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201235
N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201258
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115404252
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(5-methyl-1,2-oxazol-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200896
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113201080) is 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CCCNC(=O)C1CCc2nc3cc(C)ccn3c2C1.
What is the InChIKey of 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is GKVQXKAKGSPLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-7-17-16(20)12-4-5-13-14(10-12)19-8-6-11(2)9-15(19)18-13/h6,8-9,12H,3-5,7,10H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113201080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).