6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid

C12H18N2O3 — CID 107317986

IUPAC6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCCCCCO)ccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-9-10(12(16)17)5-6-11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyFGCIILPCWKBTEX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.66
Rot. Bonds7

About 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid

6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid (PubChem CID 107317986) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
PubChem CID107317986
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCCCCCO)ccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-9-10(12(16)17)5-6-11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyFGCIILPCWKBTEX-UHFFFAOYSA-N
XLogP1.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
CID 114125748
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060932

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid (CID 107317986) is 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid is Cc1nc(NCCCCCO)ccc1C(=O)O.
What is the InChIKey of 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is FGCIILPCWKBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-10(12(16)17)5-6-11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid?
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107317986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).