5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide

C13H17N3O4S — CID 106342053

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H17N3O4S/c1-21(19,20)16-6-3-5-15-13(18)12-8-11(4-2-7-17)9-14-10-12/h8-10,16-17H,3,5-7H2,1H3,(H,15,18)
InChIKeyAAZSSWVEEHVYHS-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.91
Rot. Bonds6

About 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide (PubChem CID 106342053) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
PubChem CID106342053
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H17N3O4S/c1-21(19,20)16-6-3-5-15-13(18)12-8-11(4-2-7-17)9-14-10-12/h8-10,16-17H,3,5-7H2,1H3,(H,15,18)
InChIKeyAAZSSWVEEHVYHS-UHFFFAOYSA-N
XLogP-0.91
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106422282
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
2-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106342056
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
CID 106342057
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 65245893
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide (CID 106342053) is 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
The InChIKey is AAZSSWVEEHVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-21(19,20)16-6-3-5-15-13(18)12-8-11(4-2-7-17)9-14-10-12/h8-10,16-17H,3,5-7H2,1H3,(H,15,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 106342053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).