4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol

C10H16N2O2 — CID 171880754

IUPAC4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1cnccc1C(O)C(O)CCN
InChIInChI=1S/C10H16N2O2/c1-7-6-12-5-3-8(7)10(14)9(13)2-4-11/h3,5-6,9-10,13-14H,2,4,11H2,1H3
InChIKeyVHJBIHAWXNDZQA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds4

About 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol

4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol (PubChem CID 171880754) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
PubChem CID171880754
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
SMILESCc1cnccc1C(O)C(O)CCN
InChIInChI=1S/C10H16N2O2/c1-7-6-12-5-3-8(7)10(14)9(13)2-4-11/h3,5-6,9-10,13-14H,2,4,11H2,1H3
InChIKeyVHJBIHAWXNDZQA-UHFFFAOYSA-N
XLogP0.13
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
1-(3-amino-4-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873543
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
4-amino-1-(2-chloro-4-fluoro-3-methylphenyl)butane-1,2-diol
CID 171881103
3-methyl-4-pentan-2-ylpyridine
CID 143325066

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol (CID 171880754) is 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol is Cc1cnccc1C(O)C(O)CCN.
What is the InChIKey of 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol?
The InChIKey is VHJBIHAWXNDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-6-12-5-3-8(7)10(14)9(13)2-4-11/h3,5-6,9-10,13-14H,2,4,11H2,1H3.
What are the key properties of 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol?
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).