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

C15H24N2O2 — CID 102906554

IUPAC6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC(C(C)C)C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-9(2)12(10(3)4)7-17-14-6-11(5)16-8-13(14)15(18)19/h6,8-10,12H,7H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyUESSEUOPPCJJMX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.43
Rot. Bonds6

About 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid

6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid (PubChem CID 102906554) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
PubChem CID102906554
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC(C(C)C)C(C)C)c(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-9(2)12(10(3)4)7-17-14-6-11(5)16-8-13(14)15(18)19/h6,8-10,12H,7H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyUESSEUOPPCJJMX-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
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
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
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 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid (CID 102906554) is 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid is Cc1cc(NCC(C(C)C)C(C)C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UESSEUOPPCJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)12(10(3)4)7-17-14-6-11(5)16-8-13(14)15(18)19/h6,8-10,12H,7H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 102906554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).