N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide

C13H19N3O2 — CID 170745075

IUPACN-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide
SMILESCOc1ccn(C)/c(=N/C(=O)C2(C)CN(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-13(8-15(2)9-13)12(17)14-11-7-10(18-4)5-6-16(11)3/h5-7H,8-9H2,1-4H3/b14-11+
InChIKeyGKYXRNYEQWHFIZ-SDNWHVSQSA-N
MW249.31 g/mol
LogP0.41
Rot. Bonds2

About N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide

N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide (PubChem CID 170745075) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide
PubChem CID170745075
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide
SMILESCOc1ccn(C)/c(=N/C(=O)C2(C)CN(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-13(8-15(2)9-13)12(17)14-11-7-10(18-4)5-6-16(11)3/h5-7H,8-9H2,1-4H3/b14-11+
InChIKeyGKYXRNYEQWHFIZ-SDNWHVSQSA-N
XLogP0.41
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide?
The IUPAC name of N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide (CID 170745075) is N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide is COc1ccn(C)/c(=N/C(=O)C2(C)CN(C)C2)c1.
What is the InChIKey of N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide?
The InChIKey is GKYXRNYEQWHFIZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(8-15(2)9-13)12(17)14-11-7-10(18-4)5-6-16(11)3/h5-7H,8-9H2,1-4H3/b14-11+.
What are the key properties of N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide?
N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1-methyl-2-pyridinylidene)-1,3-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 170745075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).