1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O4 — CID 109066061

IUPAC1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)c2ccccn12
InChIInChI=1S/C21H24N4O4/c1-4-10-22-21(27)19-24-18(15-7-5-6-11-25(15)19)20(26)23-13-14-8-9-16(28-2)17(12-14)29-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyHLAUPRQEENXXRG-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.42
Rot. Bonds8

About 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066061) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066061
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)c2ccccn12
InChIInChI=1S/C21H24N4O4/c1-4-10-22-21(27)19-24-18(15-7-5-6-11-25(15)19)20(26)23-13-14-8-9-16(28-2)17(12-14)29-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyHLAUPRQEENXXRG-UHFFFAOYSA-N
XLogP2.42
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-N-[(3-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065876
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090
3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065922
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051635
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110412652
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067160
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069254

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066061) is 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)c2ccccn12.
What is the InChIKey of 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HLAUPRQEENXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-10-22-21(27)19-24-18(15-7-5-6-11-25(15)19)20(26)23-13-14-8-9-16(28-2)17(12-14)29-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).