2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid

C14H20N2O2 — CID 114108203

IUPAC2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCC2(C)CCC2)n1
InChIInChI=1S/C14H20N2O2/c1-3-11-7-10(13(17)18)8-12(16-11)15-9-14(2)5-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVKZRXCMUCNMFBA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.94
Rot. Bonds5

About 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid

2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114108203) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
PubChem CID114108203
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCC2(C)CCC2)n1
InChIInChI=1S/C14H20N2O2/c1-3-11-7-10(13(17)18)8-12(16-11)15-9-14(2)5-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVKZRXCMUCNMFBA-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid (CID 114108203) is 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCC2(C)CCC2)n1.
What is the InChIKey of 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is VKZRXCMUCNMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-7-10(13(17)18)8-12(16-11)15-9-14(2)5-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid?
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114108203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).