butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate

C18H24N4O2 — CID 175790335

IUPACbutyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(c2cc(-c3cnn(C)c3)cc(C)n2)C1
InChIInChI=1S/C18H24N4O2/c1-4-5-6-24-18(23)22-11-16(12-22)17-8-14(7-13(2)20-17)15-9-19-21(3)10-15/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyANSYERMIICJFDY-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.13
Rot. Bonds5

About butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate

butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate (PubChem CID 175790335) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
PubChem CID175790335
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namebutyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(c2cc(-c3cnn(C)c3)cc(C)n2)C1
InChIInChI=1S/C18H24N4O2/c1-4-5-6-24-18(23)22-11-16(12-22)17-8-14(7-13(2)20-17)15-9-19-21(3)10-15/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyANSYERMIICJFDY-UHFFFAOYSA-N
XLogP3.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate 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 butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate?
The IUPAC name of butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate (CID 175790335) is butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate.
What is the SMILES notation for butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate?
The canonical SMILES for butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate is CCCCOC(=O)N1CC(c2cc(-c3cnn(C)c3)cc(C)n2)C1.
What is the InChIKey of butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate?
The InChIKey is ANSYERMIICJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-5-6-24-18(23)22-11-16(12-22)17-8-14(7-13(2)20-17)15-9-19-21(3)10-15/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate?
butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate is sourced from PubChem (CID 175790335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).