5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid

C13H20N2O3 — CID 81057588

IUPAC5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCOC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)18-6-5-15(4)12-10(3)7-11(8-14-12)13(16)17/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyBUHKEGJTFSCAFV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds6

About 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid

5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81057588) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
PubChem CID81057588
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCOC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)18-6-5-15(4)12-10(3)7-11(8-14-12)13(16)17/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyBUHKEGJTFSCAFV-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid (CID 81057588) is 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)CCOC(C)C.
What is the InChIKey of 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BUHKEGJTFSCAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)18-6-5-15(4)12-10(3)7-11(8-14-12)13(16)17/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid?
5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81057588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).