4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid

C14H22N2O3 — CID 114150196

IUPAC4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)(C)CCCO)c(C(=O)O)cn1
InChIInChI=1S/C14H22N2O3/c1-10-7-12(11(8-15-10)13(18)19)16-9-14(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyGQDAQMSZFLGKHJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.30
Rot. Bonds7

About 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid

4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 114150196) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID114150196
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)(C)CCCO)c(C(=O)O)cn1
InChIInChI=1S/C14H22N2O3/c1-10-7-12(11(8-15-10)13(18)19)16-9-14(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyGQDAQMSZFLGKHJ-UHFFFAOYSA-N
XLogP2.30
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
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-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
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
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
2-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]benzoic acid
CID 106149542

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid (CID 114150196) is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NCC(C)(C)CCCO)c(C(=O)O)cn1.
What is the InChIKey of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is GQDAQMSZFLGKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-7-12(11(8-15-10)13(18)19)16-9-14(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114150196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).