N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide

C11H11N3O3 — CID 54975137

IUPACN-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C11H11N3O3/c12-10(16)7-14-11(17)9-4-8(2-1-3-15)5-13-6-9/h4-6,15H,3,7H2,(H2,12,16)(H,14,17)
InChIKeyZODFISWEXHTGSY-UHFFFAOYSA-N
MW233.23 g/mol
LogP-1.36
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide (PubChem CID 54975137) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
PubChem CID54975137
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C11H11N3O3/c12-10(16)7-14-11(17)9-4-8(2-1-3-15)5-13-6-9/h4-6,15H,3,7H2,(H2,12,16)(H,14,17)
InChIKeyZODFISWEXHTGSY-UHFFFAOYSA-N
XLogP-1.36
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420278
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106342053
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 65245893
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 115991509
5-(3-hydroxyprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106422282

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide (CID 54975137) is N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide is NC(=O)CNC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The InChIKey is ZODFISWEXHTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10(16)7-14-11(17)9-4-8(2-1-3-15)5-13-6-9/h4-6,15H,3,7H2,(H2,12,16)(H,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide is sourced from PubChem (CID 54975137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).