N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C17H26N4O2 — CID 109073462

IUPACN-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N2CCCC2)c2n1CCCC2
InChIInChI=1S/C17H26N4O2/c1-2-3-9-18-16(22)15-19-14(13-8-4-5-12-21(13)15)17(23)20-10-6-7-11-20/h2-12H2,1H3,(H,18,22)
InChIKeyVPQDUKGXRIDRPR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.99
Rot. Bonds5

About N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109073462) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109073462
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N2CCCC2)c2n1CCCC2
InChIInChI=1S/C17H26N4O2/c1-2-3-9-18-16(22)15-19-14(13-8-4-5-12-21(13)15)17(23)20-10-6-7-11-20/h2-12H2,1H3,(H,18,22)
InChIKeyVPQDUKGXRIDRPR-UHFFFAOYSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109073462) is N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is CCCCNC(=O)c1nc(C(=O)N2CCCC2)c2n1CCCC2.
What is the InChIKey of N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VPQDUKGXRIDRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-3-9-18-16(22)15-19-14(13-8-4-5-12-21(13)15)17(23)20-10-6-7-11-20/h2-12H2,1H3,(H,18,22).
What are the key properties of N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).