3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

C17H22N4O2 — CID 110625076

IUPAC3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCC(=O)NC2CC2)c2ccccn12
InChIInChI=1S/C17H22N4O2/c1-17(2,3)16-20-14(12-6-4-5-9-21(12)16)15(23)18-10-13(22)19-11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyONHGVUVKOXTCEB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds4

About 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110625076) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110625076
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCC(=O)NC2CC2)c2ccccn12
InChIInChI=1S/C17H22N4O2/c1-17(2,3)16-20-14(12-6-4-5-9-21(12)16)15(23)18-10-13(22)19-11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyONHGVUVKOXTCEB-UHFFFAOYSA-N
XLogP1.64
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
3-N-(4-tert-butylphenyl)-1-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066574
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110632715
3-cyclopropyl-N-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54580175
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055
1-N-cyclopropyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066555
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633201
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
3-cyclopropyl-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110606191

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110625076) is 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is CC(C)(C)c1nc(C(=O)NCC(=O)NC2CC2)c2ccccn12.
What is the InChIKey of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ONHGVUVKOXTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)16-20-14(12-6-4-5-9-21(12)16)15(23)18-10-13(22)19-11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110625076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).