5-ethynyl-N,N-dimethylpyridine-3-carboxamide

C10H10N2O — CID 130118726

IUPAC5-ethynyl-N,N-dimethylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)N(C)C)c1
InChIInChI=1S/C10H10N2O/c1-4-8-5-9(7-11-6-8)10(13)12(2)3/h1,5-7H,2-3H3
InChIKeyVCUPUAPKVAZBOF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.76
Rot. Bonds1

About 5-ethynyl-N,N-dimethylpyridine-3-carboxamide

5-ethynyl-N,N-dimethylpyridine-3-carboxamide (PubChem CID 130118726) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-ethynyl-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethynyl-N,N-dimethylpyridine-3-carboxamide
PubChem CID130118726
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-ethynyl-N,N-dimethylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)N(C)C)c1
InChIInChI=1S/C10H10N2O/c1-4-8-5-9(7-11-6-8)10(13)12(2)3/h1,5-7H,2-3H3
InChIKeyVCUPUAPKVAZBOF-UHFFFAOYSA-N
XLogP0.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.76
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

N,N-dimethyl-5-propan-2-ylpyridine-3-carboxamide
CID 59135268
3-ethynyl-N,N-dimethyl-5-(trifluoromethyl)benzamide
CID 162340862
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-ethynylpyridine-3-carboxamide
CID 162530174
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
CID 100657762
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81062814
3-[2-[3,5-bis[2-(5-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]-5-ethynylpyridine
CID 143762177
3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22457870
4-ethynyl-N,N,3-trimethylbenzamide
CID 154827540
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N,N,5,6-tetramethylpyridine-3-carboxamide
CID 178150926

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-ethynyl-N,N-dimethylpyridine-3-carboxamide (CID 130118726) is 5-ethynyl-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-ethynyl-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-ethynyl-N,N-dimethylpyridine-3-carboxamide is C#Cc1cncc(C(=O)N(C)C)c1.
What is the InChIKey of 5-ethynyl-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is VCUPUAPKVAZBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-4-8-5-9(7-11-6-8)10(13)12(2)3/h1,5-7H,2-3H3.
What are the key properties of 5-ethynyl-N,N-dimethylpyridine-3-carboxamide?
5-ethynyl-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 174.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 130118726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).