3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid

C12H19N3O3 — CID 81061551

IUPAC3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)OCCN(C)c1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O3/c1-8(2)18-7-6-15(3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7,13H2,1-3H3,(H,16,17)
InChIKeyJZGHFRZRTPSPTC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds6

About 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid

3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid (PubChem CID 81061551) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
PubChem CID81061551
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)OCCN(C)c1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O3/c1-8(2)18-7-6-15(3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7,13H2,1-3H3,(H,16,17)
InChIKeyJZGHFRZRTPSPTC-UHFFFAOYSA-N
XLogP1.22
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
1-[methyl(2-propan-2-yloxyethyl)amino]isoquinoline-4-carboxylic acid
CID 106767321
3-N-methyl-3-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 103768529
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
2-[methyl(2-propan-2-yloxyethyl)amino]quinoline-3-carboxylic acid
CID 81036849
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
CID 81059374
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485
5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 81057588
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]benzoic acid
CID 81056950

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid (CID 81061551) is 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid is CC(C)OCCN(C)c1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is JZGHFRZRTPSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)18-7-6-15(3)11-10(13)9(12(16)17)4-5-14-11/h4-5,8H,6-7,13H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid?
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 81061551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).