1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O2 — CID 109067017

IUPAC1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCCCc2ccccc2)c2ccccn12
InChIInChI=1S/C21H22N4O2/c1-2-13-22-21(27)19-24-18(17-12-6-7-15-25(17)19)20(26)23-14-8-11-16-9-4-3-5-10-16/h2-7,9-10,12,15H,1,8,11,13-14H2,(H,22,27)(H,23,26)
InChIKeyHNMQAXYKWCFLCF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.61
Rot. Bonds8

About 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067017) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067017
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)NCCCc2ccccc2)c2ccccn12
InChIInChI=1S/C21H22N4O2/c1-2-13-22-21(27)19-24-18(17-12-6-7-15-25(17)19)20(26)23-14-8-11-16-9-4-3-5-10-16/h2-7,9-10,12,15H,1,8,11,13-14H2,(H,22,27)(H,23,26)
InChIKeyHNMQAXYKWCFLCF-UHFFFAOYSA-N
XLogP2.61
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071048
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068073
3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066862
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-(2-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067031
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
1-(piperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066963

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067017) is 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)NCCCc2ccccc2)c2ccccn12.
What is the InChIKey of 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HNMQAXYKWCFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-13-22-21(27)19-24-18(17-12-6-7-15-25(17)19)20(26)23-14-8-11-16-9-4-3-5-10-16/h2-7,9-10,12,15H,1,8,11,13-14H2,(H,22,27)(H,23,26).
What are the key properties of 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).