4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid

C13H20N2O2 — CID 81244589

IUPAC4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)6-15-12-5-10(4)14-7-11(12)13(16)17/h5,7-9H,6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBOPHWGBTLGHNQM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.79
Rot. Bonds5

About 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid

4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244589) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81244589
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)6-15-12-5-10(4)14-7-11(12)13(16)17/h5,7-9H,6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBOPHWGBTLGHNQM-UHFFFAOYSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid (CID 81244589) is 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid is Cc1cc(NCC(C)C(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is BOPHWGBTLGHNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)9(3)6-15-12-5-10(4)14-7-11(12)13(16)17/h5,7-9H,6H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid?
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).