1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide

C18H22N4O2 — CID 109067029

IUPAC1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12
InChIInChI=1S/C18H22N4O2/c1-2-10-19-17(23)16-20-15(14-9-5-8-13-22(14)16)18(24)21-11-6-3-4-7-12-21/h2,5,8-9,13H,1,3-4,6-7,10-12H2,(H,19,23)
InChIKeyRTUPVMZNVMBHHC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds4

About 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide

1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109067029) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109067029
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12
InChIInChI=1S/C18H22N4O2/c1-2-10-19-17(23)16-20-15(14-9-5-8-13-22(14)16)18(24)21-11-6-3-4-7-12-21/h2,5,8-9,13H,1,3-4,6-7,10-12H2,(H,19,23)
InChIKeyRTUPVMZNVMBHHC-UHFFFAOYSA-N
XLogP2.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
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

1-(piperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066963
3-(4-formylpiperazine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066817
3-(3-methylpiperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066867
1-(piperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066328
N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109066856
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067100
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836

Frequently Asked Questions

What is the IUPAC name of 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide (CID 109067029) is 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide is C=CCNC(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12.
What is the InChIKey of 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RTUPVMZNVMBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-10-19-17(23)16-20-15(14-9-5-8-13-22(14)16)18(24)21-11-6-3-4-7-12-21/h2,5,8-9,13H,1,3-4,6-7,10-12H2,(H,19,23).
What are the key properties of 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide?
1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109067029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).