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

C16H26N2O2 — CID 102906544

IUPAC4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H26N2O2/c1-9(2)13(10(3)4)8-17-15-14(16(19)20)11(5)7-12(6)18-15/h7,9-10,13H,8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyYQXLTJMKJCUZMX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.74
Rot. Bonds6

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

4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid (PubChem CID 102906544) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
PubChem CID102906544
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H26N2O2/c1-9(2)13(10(3)4)8-17-15-14(16(19)20)11(5)7-12(6)18-15/h7,9-10,13H,8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyYQXLTJMKJCUZMX-UHFFFAOYSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 103604242
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114150193
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid (CID 102906544) is 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YQXLTJMKJCUZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-9(2)13(10(3)4)8-17-15-14(16(19)20)11(5)7-12(6)18-15/h7,9-10,13H,8H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 102906544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).