N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

C20H16N4O2 — CID 137126172

IUPACN-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1
InChIInChI=1S/C20H16N4O2/c1-13(15-9-7-14(12-21)8-10-15)22-20(26)17-11-18(25)24-19(23-17)16-5-3-2-4-6-16/h2-11,13H,1H3,(H,22,26)(H,23,24,25)
InChIKeyIAZLSYZNMGFOAO-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 137126172) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID137126172
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1
InChIInChI=1S/C20H16N4O2/c1-13(15-9-7-14(12-21)8-10-15)22-20(26)17-11-18(25)24-19(23-17)16-5-3-2-4-6-16/h2-11,13H,1H3,(H,22,26)(H,23,24,25)
InChIKeyIAZLSYZNMGFOAO-UHFFFAOYSA-N
XLogP2.80
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729
N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982732
N-[1-(3-chlorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982731
N-[(1R)-1-(4-hydroxyphenyl)-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982554
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
6-oxo-2-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982822
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982620
N-[(1R)-2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983177
N-[(1R)-1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982992
[4-[(1R)-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]phenyl] hypofluorite
CID 136983135
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982966
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (CID 137126172) is N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is IAZLSYZNMGFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13(15-9-7-14(12-21)8-10-15)22-20(26)17-11-18(25)24-19(23-17)16-5-3-2-4-6-16/h2-11,13H,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137126172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).