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

C12H18N2O3 — CID 81055123

IUPAC6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)OCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-7-14(3)11-6-4-5-10(13-11)12(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyKCWQKUXVMJKMBZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds6

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

6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid (PubChem CID 81055123) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
PubChem CID81055123
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)OCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-8-7-14(3)11-6-4-5-10(13-11)12(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyKCWQKUXVMJKMBZ-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
N,6-dimethyl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 141150194
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81075076
6-[2-ethoxyethyl(methyl)amino]pyridine-2-carboxamide
CID 173079352
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
2-[methyl(2-propan-2-yloxyethyl)amino]quinoline-3-carboxylic acid
CID 81036849
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid (CID 81055123) is 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid is CC(C)OCCN(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is KCWQKUXVMJKMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)17-8-7-14(3)11-6-4-5-10(13-11)12(15)16/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid?
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 81055123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).