N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide

C11H12N2O — CID 177154770

IUPACN-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide
SMILESC#Cc1cc(C(=O)NCC)cc(C)n1
InChIInChI=1S/C11H12N2O/c1-4-10-7-9(6-8(3)13-10)11(14)12-5-2/h1,6-7H,5H2,2-3H3,(H,12,14)
InChIKeyUQUVUWXYDRLXRZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.12
Rot. Bonds2

About N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide

N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide (PubChem CID 177154770) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide
PubChem CID177154770
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide
SMILESC#Cc1cc(C(=O)NCC)cc(C)n1
InChIInChI=1S/C11H12N2O/c1-4-10-7-9(6-8(3)13-10)11(14)12-5-2/h1,6-7H,5H2,2-3H3,(H,12,14)
InChIKeyUQUVUWXYDRLXRZ-UHFFFAOYSA-N
XLogP1.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.12
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

2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide
CID 155748425
N-ethyl-6-methylpyridazine-4-carboxamide
CID 126990058
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
CID 20619420
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide (CID 177154770) is N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide is C#Cc1cc(C(=O)NCC)cc(C)n1.
What is the InChIKey of N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide?
The InChIKey is UQUVUWXYDRLXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-10-7-9(6-8(3)13-10)11(14)12-5-2/h1,6-7H,5H2,2-3H3,(H,12,14).
What are the key properties of N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide?
N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethynyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 177154770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).