N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide

C23H23N3O4 — CID 162657460

IUPACN-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2ccc(C(=O)c3ccccc3)cc2)c(O)c(=O)n1C
InChIInChI=1S/C23H23N3O4/c1-14(2)21-25-18(20(28)23(30)26(21)3)22(29)24-13-15-9-11-17(12-10-15)19(27)16-7-5-4-6-8-16/h4-12,14,28H,13H2,1-3H3,(H,24,29)
InChIKeyGSHWOLQLKIKALB-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.77
Rot. Bonds6

About N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide

N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 162657460) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID162657460
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2ccc(C(=O)c3ccccc3)cc2)c(O)c(=O)n1C
InChIInChI=1S/C23H23N3O4/c1-14(2)21-25-18(20(28)23(30)26(21)3)22(29)24-13-15-9-11-17(12-10-15)19(27)16-7-5-4-6-8-16/h4-12,14,28H,13H2,1-3H3,(H,24,29)
InChIKeyGSHWOLQLKIKALB-UHFFFAOYSA-N
XLogP2.77
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide (CID 162657460) is N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nc(C(=O)NCc2ccc(C(=O)c3ccccc3)cc2)c(O)c(=O)n1C.
What is the InChIKey of N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GSHWOLQLKIKALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14(2)21-25-18(20(28)23(30)26(21)3)22(29)24-13-15-9-11-17(12-10-15)19(27)16-7-5-4-6-8-16/h4-12,14,28H,13H2,1-3H3,(H,24,29).
What are the key properties of N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide?
N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzoylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 162657460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).