4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide

C12H18N4O — CID 81051800

IUPAC4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N(C)C2CNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C12H18N4O/c1-7-4-10(16(3)9-5-14-6-9)11(12(13)17)8(2)15-7/h4,9,14H,5-6H2,1-3H3,(H2,13,17)
InChIKeyBCNYIVAWCJTAJS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.21
Rot. Bonds3

About 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide

4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81051800) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide
PubChem CID81051800
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N(C)C2CNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C12H18N4O/c1-7-4-10(16(3)9-5-14-6-9)11(12(13)17)8(2)15-7/h4,9,14H,5-6H2,1-3H3,(H2,13,17)
InChIKeyBCNYIVAWCJTAJS-UHFFFAOYSA-N
XLogP0.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide (CID 81051800) is 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide is Cc1cc(N(C)C2CNC2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is BCNYIVAWCJTAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-4-10(16(3)9-5-14-6-9)11(12(13)17)8(2)15-7/h4,9,14H,5-6H2,1-3H3,(H2,13,17).
What are the key properties of 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide?
4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(methyl)amino]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).