N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide

C11H12N2O2 — CID 103764491

IUPACN-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H12N2O2/c1-3-7-13(4-2)11(15)9-5-6-12-10(14)8-9/h1,5-6,8H,4,7H2,2H3,(H,12,14)
InChIKeyVONVHHANSVCKOZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.47
Rot. Bonds3

About N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide

N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide (PubChem CID 103764491) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
PubChem CID103764491
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H12N2O2/c1-3-7-13(4-2)11(15)9-5-6-12-10(14)8-9/h1,5-6,8H,4,7H2,2H3,(H,12,14)
InChIKeyVONVHHANSVCKOZ-UHFFFAOYSA-N
XLogP0.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-oxo-N-prop-2-enyl-1H-pyridine-4-carboxamide
CID 103764844
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114263805
N-ethyl-2-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
CID 103764335
3,4-diethoxy-N-ethyl-N-prop-2-ynylbenzamide
CID 78970389
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
3-chloro-N-ethyl-4-fluoro-N-prop-2-ynylbenzamide
CID 81435072
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
CID 103763778
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-ethyl-3-methyl-4-nitro-N-prop-2-ynylbenzamide
CID 78970396
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide (CID 103764491) is N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide is C#CCN(CC)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide?
The InChIKey is VONVHHANSVCKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-7-13(4-2)11(15)9-5-6-12-10(14)8-9/h1,5-6,8H,4,7H2,2H3,(H,12,14).
What are the key properties of N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide?
N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).