1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H23N5O2 — CID 109070680

IUPAC1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12
InChIInChI=1S/C20H23N5O2/c1-2-3-5-11-22-19(26)17-16-9-4-6-12-25(16)18(24-17)20(27)23-14-15-8-7-10-21-13-15/h4,6-10,12-13H,2-3,5,11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLPUSCVZUTGWUOE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.58
Rot. Bonds8

About 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070680) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070680
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12
InChIInChI=1S/C20H23N5O2/c1-2-3-5-11-22-19(26)17-16-9-4-6-12-25(16)18(24-17)20(27)23-14-15-8-7-10-21-13-15/h4,6-10,12-13H,2-3,5,11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyLPUSCVZUTGWUOE-UHFFFAOYSA-N
XLogP2.58
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.58
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-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
1-N-(2-fluorophenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070701
3-N-[(2-fluorophenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070485
1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070693
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070680) is 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12.
What is the InChIKey of 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LPUSCVZUTGWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-3-5-11-22-19(26)17-16-9-4-6-12-25(16)18(24-17)20(27)23-14-15-8-7-10-21-13-15/h4,6-10,12-13H,2-3,5,11,14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).