2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide

C21H18N2O2 — CID 174759952

IUPAC2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Cc1ccc(-c2ccccc2-c2ncccc2C(N)=O)cc1
InChIInChI=1S/C21H18N2O2/c1-14(24)13-15-8-10-16(11-9-15)17-5-2-3-6-18(17)20-19(21(22)25)7-4-12-23-20/h2-12H,13H2,1H3,(H2,22,25)
InChIKeyROPAKJUQQDVEJN-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide

2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide (PubChem CID 174759952) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide
PubChem CID174759952
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Cc1ccc(-c2ccccc2-c2ncccc2C(N)=O)cc1
InChIInChI=1S/C21H18N2O2/c1-14(24)13-15-8-10-16(11-9-15)17-5-2-3-6-18(17)20-19(21(22)25)7-4-12-23-20/h2-12H,13H2,1H3,(H2,22,25)
InChIKeyROPAKJUQQDVEJN-UHFFFAOYSA-N
XLogP3.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(3,3-dimethylbut-1-ynyl)phenyl]phenyl]pyridine-3-carboxamide
CID 141432579
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
2-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 67237383
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide
CID 142459198
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
2-(2-indazol-1-ylphenyl)pyridine-3-carboxamide
CID 174764256
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
3-(2-ethylphenyl)pyridine-2-carboxamide
CID 174881246

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide (CID 174759952) is 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide is CC(=O)Cc1ccc(-c2ccccc2-c2ncccc2C(N)=O)cc1.
What is the InChIKey of 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ROPAKJUQQDVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14(24)13-15-8-10-16(11-9-15)17-5-2-3-6-18(17)20-19(21(22)25)7-4-12-23-20/h2-12H,13H2,1H3,(H2,22,25).
What are the key properties of 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide?
2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-oxopropyl)phenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 174759952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).