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

C14H22N2O3 — CID 106148798

IUPAC6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC(C)(C)CCCO)ccc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-11(13(18)19)5-6-12(16-10)15-9-14(2,3)7-4-8-17/h5-6,17H,4,7-9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyZNNMNGHTXNCAEK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.30
Rot. Bonds7

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

6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid (PubChem CID 106148798) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
PubChem CID106148798
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC(C)(C)CCCO)ccc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-11(13(18)19)5-6-12(16-10)15-9-14(2,3)7-4-8-17/h5-6,17H,4,7-9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyZNNMNGHTXNCAEK-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

6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
CID 114125748
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
2-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]benzoic acid
CID 106149542
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114150196
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106149536
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141303
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid (CID 106148798) is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid is Cc1nc(NCC(C)(C)CCCO)ccc1C(=O)O.
What is the InChIKey of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is ZNNMNGHTXNCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-11(13(18)19)5-6-12(16-10)15-9-14(2,3)7-4-8-17/h5-6,17H,4,7-9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid?
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-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 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106148798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).