1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H21N5O2 — CID 109071458

IUPAC1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12
InChIInChI=1S/C21H21N5O2/c1-2-3-5-11-23-21(28)19-25-18(17-10-4-6-12-26(17)19)20(27)24-16-9-7-8-15(13-16)14-22/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,23,28)(H,24,27)
InChIKeyNMDNDRNHMIMIID-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.38
Rot. Bonds7

About 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071458) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071458
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12
InChIInChI=1S/C21H21N5O2/c1-2-3-5-11-23-21(28)19-25-18(17-10-4-6-12-26(17)19)20(27)24-16-9-7-8-15(13-16)14-22/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,23,28)(H,24,27)
InChIKeyNMDNDRNHMIMIID-UHFFFAOYSA-N
XLogP3.38
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.38
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-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
1-N-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068818
N-(3-cyanophenyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068018

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071458) is 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12.
What is the InChIKey of 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NMDNDRNHMIMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-3-5-11-23-21(28)19-25-18(17-10-4-6-12-26(17)19)20(27)24-16-9-7-8-15(13-16)14-22/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).