N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide

C17H15N3O2 — CID 72711505

IUPACN-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(C#Cc3ccccn3)cn2)COC1
InChIInChI=1S/C17H15N3O2/c1-17(11-22-12-17)20-16(21)15-8-6-13(10-19-15)5-7-14-4-2-3-9-18-14/h2-4,6,8-10H,11-12H2,1H3,(H,20,21)
InChIKeyATFFWYBVANVLPH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.40
Rot. Bonds2

About N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide

N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide (PubChem CID 72711505) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
PubChem CID72711505
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc(C#Cc3ccccn3)cn2)COC1
InChIInChI=1S/C17H15N3O2/c1-17(11-22-12-17)20-16(21)15-8-6-13(10-19-15)5-7-14-4-2-3-9-18-14/h2-4,6,8-10H,11-12H2,1H3,(H,20,21)
InChIKeyATFFWYBVANVLPH-UHFFFAOYSA-N
XLogP1.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide (CID 72711505) is N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide is CC1(NC(=O)c2ccc(C#Cc3ccccn3)cn2)COC1.
What is the InChIKey of N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The InChIKey is ATFFWYBVANVLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-17(11-22-12-17)20-16(21)15-8-6-13(10-19-15)5-7-14-4-2-3-9-18-14/h2-4,6,8-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxetan-3-yl)-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 72711505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).