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

C12H17N3O — CID 170745086

IUPAC1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCN1CC(C)(C(=O)/N=c2\ccccn2C)C1
InChIInChI=1S/C12H17N3O/c1-12(8-14(2)9-12)11(16)13-10-6-4-5-7-15(10)3/h4-7H,8-9H2,1-3H3/b13-10+
InChIKeyHKVGILHTIKVPMH-JLHYYAGUSA-N
MW219.29 g/mol
LogP0.40
Rot. Bonds1

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

1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (PubChem CID 170745086) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
PubChem CID170745086
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCN1CC(C)(C(=O)/N=c2\ccccn2C)C1
InChIInChI=1S/C12H17N3O/c1-12(8-14(2)9-12)11(16)13-10-6-4-5-7-15(10)3/h4-7H,8-9H2,1-3H3/b13-10+
InChIKeyHKVGILHTIKVPMH-JLHYYAGUSA-N
XLogP0.40
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (CID 170745086) is 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is CN1CC(C)(C(=O)/N=c2\ccccn2C)C1.
What is the InChIKey of 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The InChIKey is HKVGILHTIKVPMH-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(8-14(2)9-12)11(16)13-10-6-4-5-7-15(10)3/h4-7H,8-9H2,1-3H3/b13-10+.
What are the key properties of 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is sourced from PubChem (CID 170745086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).