1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C16H22N4O3 — CID 109067644

IUPAC1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCCOC)n2ccccc12
InChIInChI=1S/C16H22N4O3/c1-4-11(2)18-15(21)13-12-7-5-6-9-20(12)14(19-13)16(22)17-8-10-23-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyOFKYZUMDCPNTMC-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.24
Rot. Bonds7

About 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067644) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067644
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCCOC)n2ccccc12
InChIInChI=1S/C16H22N4O3/c1-4-11(2)18-15(21)13-12-7-5-6-9-20(12)14(19-13)16(22)17-8-10-23-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyOFKYZUMDCPNTMC-UHFFFAOYSA-N
XLogP1.24
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
1-N-butan-2-yl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067678
3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066226
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
3-N-butan-2-yl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067826
1-N-[2-(4-methoxyphenoxy)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066382
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080
1-N-(4-ethoxyphenyl)-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069067

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067644) is 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)NCCOC)n2ccccc12.
What is the InChIKey of 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is OFKYZUMDCPNTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-11(2)18-15(21)13-12-7-5-6-9-20(12)14(19-13)16(22)17-8-10-23-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).