N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide

C16H15N5O — CID 75434197

IUPACN-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccncc1
InChIInChI=1S/C16H15N5O/c1-2-20(14-7-9-17-10-8-14)16(22)13-3-5-15(6-4-13)21-12-11-18-19-21/h3-12H,2H2,1H3
InChIKeyACJYODCJSCBJOD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.33
Rot. Bonds4

About N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide

N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide (PubChem CID 75434197) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide
PubChem CID75434197
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccncc1
InChIInChI=1S/C16H15N5O/c1-2-20(14-7-9-17-10-8-14)16(22)13-3-5-15(6-4-13)21-12-11-18-19-21/h3-12H,2H2,1H3
InChIKeyACJYODCJSCBJOD-UHFFFAOYSA-N
XLogP2.33
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide?
The IUPAC name of N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide (CID 75434197) is N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide is CCN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccncc1.
What is the InChIKey of N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide?
The InChIKey is ACJYODCJSCBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-20(14-7-9-17-10-8-14)16(22)13-3-5-15(6-4-13)21-12-11-18-19-21/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide?
N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 75434197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).