N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide

C11H12N2O2 — CID 79725826

IUPACN-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1cncc(O)c1
InChIInChI=1S/C11H12N2O2/c1-3-5-13(4-2)11(15)9-6-10(14)8-12-7-9/h1,6-8,14H,4-5H2,2H3
InChIKeyHYFBPMYYDGNDMT-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds3

About N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide

N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 79725826) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID79725826
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1cncc(O)c1
InChIInChI=1S/C11H12N2O2/c1-3-5-13(4-2)11(15)9-6-10(14)8-12-7-9/h1,6-8,14H,4-5H2,2H3
InChIKeyHYFBPMYYDGNDMT-UHFFFAOYSA-N
XLogP0.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63861022
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
5-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55256550
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide (CID 79725826) is N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide is C#CCN(CC)C(=O)c1cncc(O)c1.
What is the InChIKey of N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is HYFBPMYYDGNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-5-13(4-2)11(15)9-6-10(14)8-12-7-9/h1,6-8,14H,4-5H2,2H3.
What are the key properties of N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide?
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 79725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).