2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid

C14H22N2O3 — CID 114093914

IUPAC2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H22N2O3/c1-4-11-7-10(13(18)19)8-12(15-11)16-14(5-2,6-3)9-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyFOTYPBDSMFSDNB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds7

About 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid

2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid (PubChem CID 114093914) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
PubChem CID114093914
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H22N2O3/c1-4-11-7-10(13(18)19)8-12(15-11)16-14(5-2,6-3)9-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyFOTYPBDSMFSDNB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
2-{[(6-Methyl-2-pyridinyl)amino]carbonyl}benzoic acid
CID 768869
7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 67907967
2-((4-Fluoro-2-methylphenylamino)methyl)-6-((2-hydroxyethyl)(methyl)amino)isonicotinic acid
CID 44592260
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(2-hydroxyethylamino)isonicotinic acid
CID 44592261
2-(Bis(2-hydroxyethyl)amino)-6-((4-fluoro-2-methylphenylamino)methyl)isonicotinic acid
CID 44592262
2-(Cyclopropylamino)-6-methylpyridine-4-carboxylic acid
CID 83698075
2-(Diethylamino)-6-methylisonicotinic acid
CID 58418055
6-Amino-3-methylpicolinic acid
CID 90412282
4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide
CID 91652296
6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057986
6-[[(2S)-2-hydroxy-3-phenylpropyl]-methylamino]pyridine-2-carboxylic acid
CID 164634556

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid (CID 114093914) is 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid?
The InChIKey is FOTYPBDSMFSDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11-7-10(13(18)19)8-12(15-11)16-14(5-2,6-3)9-17/h7-8,17H,4-6,9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid?
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114093914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).