4-ethynyl-N-pyridin-2-ylbenzamide

C14H10N2O — CID 135042338

IUPAC4-ethynyl-N-pyridin-2-ylbenzamide
SMILESC#Cc1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H10N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h1,3-10H,(H,15,16,17)
InChIKeySMVWIQCBVKYGMN-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.32
Rot. Bonds2

About 4-ethynyl-N-pyridin-2-ylbenzamide

4-ethynyl-N-pyridin-2-ylbenzamide (PubChem CID 135042338) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-ethynyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-ethynyl-N-pyridin-2-ylbenzamide
PubChem CID135042338
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-ethynyl-N-pyridin-2-ylbenzamide
SMILESC#Cc1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H10N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h1,3-10H,(H,15,16,17)
InChIKeySMVWIQCBVKYGMN-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.32
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

1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-arsoroso-N-pyridin-2-ylbenzamide
CID 3027019
N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 70351953
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
CID 146637347
4-(2-isothiocyanatoethyl)-N-pyridin-2-ylbenzamide
CID 86296461

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-ethynyl-N-pyridin-2-ylbenzamide (CID 135042338) is 4-ethynyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-ethynyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-ethynyl-N-pyridin-2-ylbenzamide is C#Cc1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-ethynyl-N-pyridin-2-ylbenzamide?
The InChIKey is SMVWIQCBVKYGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-11-6-8-12(9-7-11)14(17)16-13-5-3-4-10-15-13/h1,3-10H,(H,15,16,17).
What are the key properties of 4-ethynyl-N-pyridin-2-ylbenzamide?
4-ethynyl-N-pyridin-2-ylbenzamide has a molecular weight of 222.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 135042338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).