2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide

C13H10N4O — CID 168521501

IUPAC2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cccc(-c2ncccn2)c1
InChIInChI=1S/C13H10N4O/c14-6-5-12(18)17-11-4-1-3-10(9-11)13-15-7-2-8-16-13/h1-4,7-9H,5H2,(H,17,18)
InChIKeyCIQVPBYYWVLYMG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.00
Rot. Bonds3

About 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide

2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide (PubChem CID 168521501) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
PubChem CID168521501
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cccc(-c2ncccn2)c1
InChIInChI=1S/C13H10N4O/c14-6-5-12(18)17-11-4-1-3-10(9-11)13-15-7-2-8-16-13/h1-4,7-9H,5H2,(H,17,18)
InChIKeyCIQVPBYYWVLYMG-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-[5-[3-[(2-cyanoacetyl)amino]phenyl]tetrazol-2-yl]acetic acid
CID 168524333
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 168523396
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
CID 168523125
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-[3-[(2-cyanoacetyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168522691
N-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168522916
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide (CID 168521501) is 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide is N#CCC(=O)Nc1cccc(-c2ncccn2)c1.
What is the InChIKey of 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide?
The InChIKey is CIQVPBYYWVLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-6-5-12(18)17-11-4-1-3-10(9-11)13-15-7-2-8-16-13/h1-4,7-9H,5H2,(H,17,18).
What are the key properties of 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide?
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide is sourced from PubChem (CID 168521501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).