6-(4-hydroxybutylamino)pyridine-3-carboxamide

C10H15N3O2 — CID 106842705

IUPAC6-(4-hydroxybutylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCCCO)nc1
InChIInChI=1S/C10H15N3O2/c11-10(15)8-3-4-9(13-7-8)12-5-1-2-6-14/h3-4,7,14H,1-2,5-6H2,(H2,11,15)(H,12,13)
InChIKeyGHQSFRVTURVYSC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.36
Rot. Bonds6

About 6-(4-hydroxybutylamino)pyridine-3-carboxamide

6-(4-hydroxybutylamino)pyridine-3-carboxamide (PubChem CID 106842705) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(4-hydroxybutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxybutylamino)pyridine-3-carboxamide
PubChem CID106842705
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-(4-hydroxybutylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCCCO)nc1
InChIInChI=1S/C10H15N3O2/c11-10(15)8-3-4-9(13-7-8)12-5-1-2-6-14/h3-4,7,14H,1-2,5-6H2,(H2,11,15)(H,12,13)
InChIKeyGHQSFRVTURVYSC-UHFFFAOYSA-N
XLogP0.36
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.36
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-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247
6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
CID 112722874
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
2-amino-N-[6-(5-hydroxypentylamino)-3-pyridinyl]acetamide
CID 39179919
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
6-[3-(3-hydroxypiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 131915518
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(4-hydroxybutylamino)pyridine-3-carboxamide (CID 106842705) is 6-(4-hydroxybutylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-hydroxybutylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-hydroxybutylamino)pyridine-3-carboxamide is NC(=O)c1ccc(NCCCCO)nc1.
What is the InChIKey of 6-(4-hydroxybutylamino)pyridine-3-carboxamide?
The InChIKey is GHQSFRVTURVYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(15)8-3-4-9(13-7-8)12-5-1-2-6-14/h3-4,7,14H,1-2,5-6H2,(H2,11,15)(H,12,13).
What are the key properties of 6-(4-hydroxybutylamino)pyridine-3-carboxamide?
6-(4-hydroxybutylamino)pyridine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).