4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid

C12H18N2O3 — CID 54948033

IUPAC4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
SMILESCCCCN(CCO)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-2-3-6-14(7-8-15)10-4-5-13-11(9-10)12(16)17/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyTWSTWAVKOWQZTC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.38
Rot. Bonds7

About 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid

4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid (PubChem CID 54948033) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
PubChem CID54948033
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
SMILESCCCCN(CCO)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-2-3-6-14(7-8-15)10-4-5-13-11(9-10)12(16)17/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyTWSTWAVKOWQZTC-UHFFFAOYSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911
4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
CID 63880878
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
2-(aminomethyl)-N,N-dibutylpyridin-4-amine
CID 62300849
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid (CID 54948033) is 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid is CCCCN(CCO)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is TWSTWAVKOWQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-6-14(7-8-15)10-4-5-13-11(9-10)12(16)17/h4-5,9,15H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 54948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).