3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H28N4O2 — CID 109076952

IUPAC3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-15(2)12-13-22-20(26)18-17-11-7-8-14-25(17)19(23-18)21(27)24(3)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,22,26)
InChIKeyWDPKEUJVCJJJIB-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.27
Rot. Bonds6

About 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076952) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076952
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-15(2)12-13-22-20(26)18-17-11-7-8-14-25(17)19(23-18)21(27)24(3)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,22,26)
InChIKeyWDPKEUJVCJJJIB-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-methoxypropyl)-3-N-methyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075212
3-N-[2-(dimethylamino)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760
N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074251
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
3-N-cyclopropyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072935
3-N-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513
1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077154
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074952
1-N-butyl-1-N-methyl-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076994
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074999

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076952) is 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)N(C)c2ccccc2)n2c1CCCC2.
What is the InChIKey of 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WDPKEUJVCJJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)12-13-22-20(26)18-17-11-7-8-14-25(17)19(23-18)21(27)24(3)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3,(H,22,26).
What are the key properties of 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).