N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide

C21H22N4O2 — CID 109067964

IUPACN-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCCC3)c3ccccn23)cc1C
InChIInChI=1S/C21H22N4O2/c1-14-8-9-16(13-15(14)2)22-20(26)19-23-18(17-7-3-4-12-25(17)19)21(27)24-10-5-6-11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,22,26)
InChIKeyNSEXBTGKJVWULT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109067964) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109067964
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCCC3)c3ccccn23)cc1C
InChIInChI=1S/C21H22N4O2/c1-14-8-9-16(13-15(14)2)22-20(26)19-23-18(17-7-3-4-12-25(17)19)21(27)24-10-5-6-11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,22,26)
InChIKeyNSEXBTGKJVWULT-UHFFFAOYSA-N
XLogP3.44
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068010
N-(3,4-dimethylphenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071640
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931
N-(3-cyanophenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068018
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068024
1-(piperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066328
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090
1-(4-methylpiperidine-1-carbonyl)-N-phenylimidazo[1,5-a]pyridine-3-carboxamide
CID 109068726
N-(2,5-dimethylphenyl)-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069909
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
1-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109077385
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 109067964) is N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2nc(C(=O)N3CCCC3)c3ccccn23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NSEXBTGKJVWULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-9-16(13-15(14)2)22-20(26)19-23-18(17-7-3-4-12-25(17)19)21(27)24-10-5-6-11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109067964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).