2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide

C10H16N4O2 — CID 64539180

IUPAC2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
SMILESCC(O)C(N)CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C10H16N4O2/c1-6(15)8(11)5-14-9-4-7(10(12)16)2-3-13-9/h2-4,6,8,15H,5,11H2,1H3,(H2,12,16)(H,13,14)
InChIKeyFNRJUEFLIHZNSH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.70
Rot. Bonds5

About 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide

2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide (PubChem CID 64539180) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
PubChem CID64539180
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
SMILESCC(O)C(N)CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C10H16N4O2/c1-6(15)8(11)5-14-9-4-7(10(12)16)2-3-13-9/h2-4,6,8,15H,5,11H2,1H3,(H2,12,16)(H,13,14)
InChIKeyFNRJUEFLIHZNSH-UHFFFAOYSA-N
XLogP-0.70
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
2-[(2-amino-2-phenylethyl)amino]pyridine-4-carboxamide
CID 63120769
4-[(2-amino-3-hydroxybutyl)amino]benzamide
CID 64541293
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide
CID 115310819
2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
CID 61020016
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide (CID 64539180) is 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide is CC(O)C(N)CNc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide?
The InChIKey is FNRJUEFLIHZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(15)8(11)5-14-9-4-7(10(12)16)2-3-13-9/h2-4,6,8,15H,5,11H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide?
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 64539180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).