5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide

C10H13N3O — CID 171487958

IUPAC5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2CNC2)cn1
InChIInChI=1S/C10H13N3O/c1-11-10(14)9-3-2-7(6-13-9)8-4-12-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,11,14)
InChIKeySTKCNOVIIAFUQW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.13
Rot. Bonds2

About 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide

5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 171487958) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID171487958
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2CNC2)cn1
InChIInChI=1S/C10H13N3O/c1-11-10(14)9-3-2-7(6-13-9)8-4-12-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,11,14)
InChIKeySTKCNOVIIAFUQW-UHFFFAOYSA-N
XLogP0.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide (CID 171487958) is 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C2CNC2)cn1.
What is the InChIKey of 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is STKCNOVIIAFUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-11-10(14)9-3-2-7(6-13-9)8-4-12-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,11,14).
What are the key properties of 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide?
5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).