6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid

C12H18N2O3 — CID 106136497

IUPAC6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCCCC(C)O)ccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-8(15)4-3-7-13-11-6-5-10(12(16)17)9(2)14-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyATHRPJHPGKROMF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.66
Rot. Bonds6

About 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid

6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid (PubChem CID 106136497) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
PubChem CID106136497
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCCCC(C)O)ccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-8(15)4-3-7-13-11-6-5-10(12(16)17)9(2)14-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyATHRPJHPGKROMF-UHFFFAOYSA-N
XLogP1.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid (CID 106136497) is 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid is Cc1nc(NCCCC(C)O)ccc1C(=O)O.
What is the InChIKey of 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is ATHRPJHPGKROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(15)4-3-7-13-11-6-5-10(12(16)17)9(2)14-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106136497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).