N-pyrimidin-5-ylbenzamide

C11H9N3O — CID 68971843

IUPACN-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
InChIKeyRKVZLNKZLQVUID-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.73
Rot. Bonds2

About N-pyrimidin-5-ylbenzamide

N-pyrimidin-5-ylbenzamide (PubChem CID 68971843) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-pyrimidin-5-ylbenzamide
PubChem CID68971843
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cncnc1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
InChIKeyRKVZLNKZLQVUID-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

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Related Compounds

4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
2-(pyrimidin-5-ylcarbamoyl)benzoic acid
CID 107587534
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
3-carbamothioyl-N-pyrimidin-5-ylbenzamide
CID 107588773
molecular hydrogen;N-phenylbenzamide
CID 145238042
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
(4-benzamidophenyl)carbamic acid
CID 18543096
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylbenzamide
CID 107589626

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-ylbenzamide?
The IUPAC name of N-pyrimidin-5-ylbenzamide (CID 68971843) is N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-pyrimidin-5-ylbenzamide is O=C(Nc1cncnc1)c1ccccc1.
What is the InChIKey of N-pyrimidin-5-ylbenzamide?
The InChIKey is RKVZLNKZLQVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15).
What are the key properties of N-pyrimidin-5-ylbenzamide?
N-pyrimidin-5-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-5-ylbenzamide is sourced from PubChem (CID 68971843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).