2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide

C13H10N4O — CID 107588694

IUPAC2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
SMILESN#CC(C(=O)Nc1cncnc1)c1ccccc1
InChIInChI=1S/C13H10N4O/c14-6-12(10-4-2-1-3-5-10)13(18)17-11-7-15-9-16-8-11/h1-5,7-9,12H,(H,17,18)
InChIKeySHADVPVCDUGKBM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.72
Rot. Bonds3

About 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide

2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide (PubChem CID 107588694) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
PubChem CID107588694
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
SMILESN#CC(C(=O)Nc1cncnc1)c1ccccc1
InChIInChI=1S/C13H10N4O/c14-6-12(10-4-2-1-3-5-10)13(18)17-11-7-15-9-16-8-11/h1-5,7-9,12H,(H,17,18)
InChIKeySHADVPVCDUGKBM-UHFFFAOYSA-N
XLogP1.72
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
N-pyrimidin-5-ylbenzamide
CID 68971843
N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
CID 107805412
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
CID 114387927
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 62877198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide (CID 107588694) is 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide is N#CC(C(=O)Nc1cncnc1)c1ccccc1.
What is the InChIKey of 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide?
The InChIKey is SHADVPVCDUGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-6-12(10-4-2-1-3-5-10)13(18)17-11-7-15-9-16-8-11/h1-5,7-9,12H,(H,17,18).
What are the key properties of 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide?
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide has a molecular weight of 238.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 107588694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).