N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide

C11H11N3O — CID 162374049

IUPACN-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide
SMILESC#Cc1ccc(NC(=O)C2CNC2)cn1
InChIInChI=1S/C11H11N3O/c1-2-9-3-4-10(7-13-9)14-11(15)8-5-12-6-8/h1,3-4,7-8,12H,5-6H2,(H,14,15)
InChIKeyOJFQRJGLKZYGKB-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.22
Rot. Bonds2

About N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide

N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide (PubChem CID 162374049) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide
PubChem CID162374049
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide
SMILESC#Cc1ccc(NC(=O)C2CNC2)cn1
InChIInChI=1S/C11H11N3O/c1-2-9-3-4-10(7-13-9)14-11(15)8-5-12-6-8/h1,3-4,7-8,12H,5-6H2,(H,14,15)
InChIKeyOJFQRJGLKZYGKB-UHFFFAOYSA-N
XLogP0.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-ethynyl-3-pyridinyl)carbamic acid
CID 87204511
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
N-(6-cyclohexyl-3-pyridinyl)-5-methylpiperidine-3-carboxamide
CID 167808044
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
2-[4-(azetidine-3-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80554661
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-(6-imidazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63005414
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
CID 72837122
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308

Frequently Asked Questions

What is the IUPAC name of N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide (CID 162374049) is N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide is C#Cc1ccc(NC(=O)C2CNC2)cn1.
What is the InChIKey of N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide?
The InChIKey is OJFQRJGLKZYGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-9-3-4-10(7-13-9)14-11(15)8-5-12-6-8/h1,3-4,7-8,12H,5-6H2,(H,14,15).
What are the key properties of N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide?
N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 162374049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).