5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide

C11H18N4O2S — CID 106309000

IUPAC5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCSCCCO
InChIInChI=1S/C11H18N4O2S/c12-8-6-9(10(13)17)11(15-7-8)14-2-5-18-4-1-3-16/h6-7,16H,1-5,12H2,(H2,13,17)(H,14,15)
InChIKeyFFCBYCISRGZXRW-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.29
Rot. Bonds8

About 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide

5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide (PubChem CID 106309000) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
PubChem CID106309000
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCSCCCO
InChIInChI=1S/C11H18N4O2S/c12-8-6-9(10(13)17)11(15-7-8)14-2-5-18-4-1-3-16/h6-7,16H,1-5,12H2,(H2,13,17)(H,14,15)
InChIKeyFFCBYCISRGZXRW-UHFFFAOYSA-N
XLogP0.29
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide 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

5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 79385386
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
CID 61357424
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
CID 61358020
3-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311745
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
3-amino-4-[2-(3-hydroxypropylsulfanyl)ethylamino]benzamide
CID 106309090

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide (CID 106309000) is 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCCSCCCO.
What is the InChIKey of 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is FFCBYCISRGZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c12-8-6-9(10(13)17)11(15-7-8)14-2-5-18-4-1-3-16/h6-7,16H,1-5,12H2,(H2,13,17)(H,14,15).
What are the key properties of 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide?
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 106309000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).