4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide

C15H23N3O2 — CID 81051431

IUPAC4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(OC2CCCCC2CN)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H23N3O2/c1-9-7-13(14(15(17)19)10(2)18-9)20-12-6-4-3-5-11(12)8-16/h7,11-12H,3-6,8,16H2,1-2H3,(H2,17,19)
InChIKeyLLHLBOGJZXXZJC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds4

About 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide

4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81051431) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide
PubChem CID81051431
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(OC2CCCCC2CN)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H23N3O2/c1-9-7-13(14(15(17)19)10(2)18-9)20-12-6-4-3-5-11(12)8-16/h7,11-12H,3-6,8,16H2,1-2H3,(H2,17,19)
InChIKeyLLHLBOGJZXXZJC-UHFFFAOYSA-N
XLogP1.69
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide (CID 81051431) is 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide is Cc1cc(OC2CCCCC2CN)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is LLHLBOGJZXXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-7-13(14(15(17)19)10(2)18-9)20-12-6-4-3-5-11(12)8-16/h7,11-12H,3-6,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide?
4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).