6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide

C12H17N3O — CID 134168196

IUPAC6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)cnc1N1CCC1
InChIInChI=1S/C12H17N3O/c1-8(2)10-6-9(11(13)16)7-14-12(10)15-4-3-5-15/h6-8H,3-5H2,1-2H3,(H2,13,16)
InChIKeyRNMMFWGEJTXZBH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.51
Rot. Bonds3

About 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide

6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide (PubChem CID 134168196) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide
PubChem CID134168196
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)cnc1N1CCC1
InChIInChI=1S/C12H17N3O/c1-8(2)10-6-9(11(13)16)7-14-12(10)15-4-3-5-15/h6-8H,3-5H2,1-2H3,(H2,13,16)
InChIKeyRNMMFWGEJTXZBH-UHFFFAOYSA-N
XLogP1.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide (CID 134168196) is 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(C(N)=O)cnc1N1CCC1.
What is the InChIKey of 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RNMMFWGEJTXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)10-6-9(11(13)16)7-14-12(10)15-4-3-5-15/h6-8H,3-5H2,1-2H3,(H2,13,16).
What are the key properties of 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide?
6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-5-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 134168196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).