5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C11H17N3O2S — CID 106152400

IUPAC5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H17N3O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6,12H2,1-2H3,(H,14,16)
InChIKeyUDNYBTHEMQPRPA-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.51
Rot. Bonds5

About 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 106152400) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID106152400
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H17N3O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6,12H2,1-2H3,(H,14,16)
InChIKeyUDNYBTHEMQPRPA-UHFFFAOYSA-N
XLogP0.51
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 75384422
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 106152400) is 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSC(CO)C(C)NC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is UDNYBTHEMQPRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6,12H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106152400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).