3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide

C11H15N3O — CID 170745078

IUPAC3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CNC1
InChIInChI=1S/C11H15N3O/c1-11(7-12-8-11)10(15)13-9-5-3-4-6-14(9)2/h3-6,12H,7-8H2,1-2H3/b13-9+
InChIKeyUHTVYQXUVFUACG-UKTHLTGXSA-N
MW205.26 g/mol
LogP0.06
Rot. Bonds1

About 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide

3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (PubChem CID 170745078) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
PubChem CID170745078
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CNC1
InChIInChI=1S/C11H15N3O/c1-11(7-12-8-11)10(15)13-9-5-3-4-6-14(9)2/h3-6,12H,7-8H2,1-2H3/b13-9+
InChIKeyUHTVYQXUVFUACG-UKTHLTGXSA-N
XLogP0.06
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (CID 170745078) is 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is Cn1cccc/c1=N\C(=O)C1(C)CNC1.
What is the InChIKey of 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The InChIKey is UHTVYQXUVFUACG-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(7-12-8-11)10(15)13-9-5-3-4-6-14(9)2/h3-6,12H,7-8H2,1-2H3/b13-9+.
What are the key properties of 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is sourced from PubChem (CID 170745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).