3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H26N4O3 — CID 109069475

IUPAC3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCC2CCCO2)c2ccccn12
InChIInChI=1S/C19H26N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyHNCHTQUJYGFZCU-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.02
Rot. Bonds7

About 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069475) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069475
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCC2CCCO2)c2ccccn12
InChIInChI=1S/C19H26N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyHNCHTQUJYGFZCU-UHFFFAOYSA-N
XLogP2.02
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
3-N-cyclohexyl-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068652
3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069504
3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069484
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
N-(3-methylbutyl)-1-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109071303
N-(3-methylbutyl)-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069396
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128
1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071293

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069475) is 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)NCC2CCCO2)c2ccccn12.
What is the InChIKey of 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HNCHTQUJYGFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).