N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide

C13H12N2O — CID 155748425

IUPACN-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide
SMILESC#Cc1cc(C(=O)N(C)CC)cc(C#C)n1
InChIInChI=1S/C13H12N2O/c1-5-11-8-10(9-12(6-2)14-11)13(16)15(4)7-3/h1-2,8-9H,7H2,3-4H3
InChIKeyKEKBQYNYZLVXAH-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.14
Rot. Bonds2

About N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide

N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide (PubChem CID 155748425) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide
PubChem CID155748425
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide
SMILESC#Cc1cc(C(=O)N(C)CC)cc(C#C)n1
InChIInChI=1S/C13H12N2O/c1-5-11-8-10(9-12(6-2)14-11)13(16)15(4)7-3/h1-2,8-9H,7H2,3-4H3
InChIKeyKEKBQYNYZLVXAH-UHFFFAOYSA-N
XLogP1.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide
CID 126830037
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N,3-diethyl-N-methylbenzamide
CID 89250993
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
CID 142914162
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide?
The IUPAC name of N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide (CID 155748425) is N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide is C#Cc1cc(C(=O)N(C)CC)cc(C#C)n1.
What is the InChIKey of N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide?
The InChIKey is KEKBQYNYZLVXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-5-11-8-10(9-12(6-2)14-11)13(16)15(4)7-3/h1-2,8-9H,7H2,3-4H3.
What are the key properties of N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide?
N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 155748425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).