N-pyrimidin-2-ylbenzamide

C11H9N3O — CID 638481

IUPACN-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15)
InChIKeyQBRCMHSAOZCHQH-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.73
Rot. Bonds2

About N-pyrimidin-2-ylbenzamide

N-pyrimidin-2-ylbenzamide (PubChem CID 638481) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylbenzamide
PubChem CID638481
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15)
InChIKeyQBRCMHSAOZCHQH-UHFFFAOYSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyrimidin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrimidin-2-ylbenzamide;silver
CID 175574792
(E)-but-2-enedioic acid;N-pyrimidin-2-ylbenzamide
CID 162326925
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-(5-phenylpyrimidin-2-yl)benzamide
CID 71415986
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 110683610
3-benzamido-1H-1,2,4-triazole-5-carboxylic acid
CID 4299117
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172274
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylbenzamide?
The IUPAC name of N-pyrimidin-2-ylbenzamide (CID 638481) is N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1ccccc1.
What is the InChIKey of N-pyrimidin-2-ylbenzamide?
The InChIKey is QBRCMHSAOZCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15).
What are the key properties of N-pyrimidin-2-ylbenzamide?
N-pyrimidin-2-ylbenzamide has a molecular weight of 199.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 638481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).