3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H24N4O2 — CID 109066862

IUPAC3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2ccccc12
InChIInChI=1S/C22H24N4O2/c1-4-13-23-21(27)19-18-12-8-9-14-25(18)20(24-19)22(28)26(16(2)3)15-17-10-6-5-7-11-17/h4-12,14,16H,1,13,15H2,2-3H3,(H,23,27)
InChIKeyOCCNTPOJDSABDL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.30
Rot. Bonds7

About 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066862) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066862
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2ccccc12
InChIInChI=1S/C22H24N4O2/c1-4-13-23-21(27)19-18-12-8-9-14-25(18)20(24-19)22(28)26(16(2)3)15-17-10-6-5-7-11-17/h4-12,14,16H,1,13,15H2,2-3H3,(H,23,27)
InChIKeyOCCNTPOJDSABDL-UHFFFAOYSA-N
XLogP3.30
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-propan-2-yl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067946
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
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
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
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070565

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066862) is 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)N(Cc2ccccc2)C(C)C)n2ccccc12.
What is the InChIKey of 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is OCCNTPOJDSABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-13-23-21(27)19-18-12-8-9-14-25(18)20(24-19)22(28)26(16(2)3)15-17-10-6-5-7-11-17/h4-12,14,16H,1,13,15H2,2-3H3,(H,23,27).
What are the key properties of 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-propan-2-yl-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).