N-(4-pyridyl)benzamide

C12H10N2O — CID 78893

IUPACN-pyridin-4-ylbenzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2
InChIInChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)
InChIKeyPNWVOLKZHJEWQU-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.60
Rot. Bonds2

About N-(4-pyridyl)benzamide

N-(4-pyridyl)benzamide (PubChem CID 78893) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-(4-pyridyl)benzamide
PubChem CID78893
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-pyridin-4-ylbenzamide
SMILESC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2
InChIInChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)
InChIKeyPNWVOLKZHJEWQU-UHFFFAOYSA-N
XLogP1.60
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Milrinone
CID 4197
Daporinad
CID 6914657
4-Benzoylpyridine
CID 26731
Tucidinostat
CID 12136798
Ximelegatran
CID 448042
Enisamium Iodide
CID 10089466
Y-27632 dihydrochloride
CID 9901617
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
Ica-27243
CID 9903497
N-Ethylnicotinamide
CID 78007
Senazodan
CID 123942
Nicotinanilide
CID 74463

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridyl)benzamide?
The IUPAC name of N-(4-pyridyl)benzamide (CID 78893) is N-pyridin-4-ylbenzamide.
What is the SMILES notation for N-(4-pyridyl)benzamide?
The canonical SMILES for N-(4-pyridyl)benzamide is C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2.
What is the InChIKey of N-(4-pyridyl)benzamide?
The InChIKey is PNWVOLKZHJEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15).
What are the key properties of N-(4-pyridyl)benzamide?
N-(4-pyridyl)benzamide has a molecular weight of 198.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridyl)benzamide is sourced from PubChem (CID 78893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).