4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid

C11H16N2O2 — CID 81232359

IUPAC4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)(C)C)c(C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(13-11(2,3)4)8(6-12-7)10(14)15/h5-6H,1-4H3,(H,12,13)(H,14,15)
InChIKeyRDVSDBYSDJZZGQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.30
Rot. Bonds2

About 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid

4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81232359) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81232359
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)(C)C)c(C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(13-11(2,3)4)8(6-12-7)10(14)15/h5-6H,1-4H3,(H,12,13)(H,14,15)
InChIKeyRDVSDBYSDJZZGQ-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114150196
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid (CID 81232359) is 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid is Cc1cc(NC(C)(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is RDVSDBYSDJZZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-9(13-11(2,3)4)8(6-12-7)10(14)15/h5-6H,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid?
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81232359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).