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

C18H28N4O2 — CID 109074251

IUPACN-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)N2CCCC2)n2c1CCCC2
InChIInChI=1S/C18H28N4O2/c1-13(2)8-9-19-17(23)15-14-7-3-4-12-22(14)16(20-15)18(24)21-10-5-6-11-21/h13H,3-12H2,1-2H3,(H,19,23)
InChIKeyZCOMKTYQADNBMH-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.23
Rot. Bonds5

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

N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109074251) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109074251
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)N2CCCC2)n2c1CCCC2
InChIInChI=1S/C18H28N4O2/c1-13(2)8-9-19-17(23)15-14-7-3-4-12-22(14)16(20-15)18(24)21-10-5-6-11-21/h13H,3-12H2,1-2H3,(H,19,23)
InChIKeyZCOMKTYQADNBMH-UHFFFAOYSA-N
XLogP2.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109074251) is N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(C)CCNC(=O)c1nc(C(=O)N2CCCC2)n2c1CCCC2.
What is the InChIKey of N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZCOMKTYQADNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)8-9-19-17(23)15-14-7-3-4-12-22(14)16(20-15)18(24)21-10-5-6-11-21/h13H,3-12H2,1-2H3,(H,19,23).
What are the key properties of N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109074251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).