N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide

C23H23FN4O2 — CID 92619288

IUPACN-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F
InChIInChI=1S/C23H23FN4O2/c1-15(2)22(29)25-13-12-19-17(23(30)28-20-11-7-6-10-18(20)24)14-26-21(27-19)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,28,30)
InChIKeyVIPAUALAFMFCAF-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.85
Rot. Bonds7

About N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide

N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 92619288) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID92619288
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F
InChIInChI=1S/C23H23FN4O2/c1-15(2)22(29)25-13-12-19-17(23(30)28-20-11-7-6-10-18(20)24)14-26-21(27-19)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,28,30)
InChIKeyVIPAUALAFMFCAF-UHFFFAOYSA-N
XLogP3.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
CID 95812385
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide
CID 92619071
N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide
CID 92619292
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
N-(2-fluorophenyl)-4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149546
2-amino-N-(2-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 83577164

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide (CID 92619288) is N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide is CC(C)C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is VIPAUALAFMFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15(2)22(29)25-13-12-19-17(23(30)28-20-11-7-6-10-18(20)24)14-26-21(27-19)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,28,30).
What are the key properties of N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide?
N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92619288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).