N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide

C23H24N4O3 — CID 58417169

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C
InChIInChI=1S/C23H24N4O3/c1-14(2)20(16-9-11-18(12-10-16)22(28)27-30)26-23(29)19-13-24-21(25-15(19)3)17-7-5-4-6-8-17/h4-14,20,30H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVXMIZYKAESMBJK-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.70
Rot. Bonds6

About N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 58417169) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID58417169
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C
InChIInChI=1S/C23H24N4O3/c1-14(2)20(16-9-11-18(12-10-16)22(28)27-30)26-23(29)19-13-24-21(25-15(19)3)17-7-5-4-6-8-17/h4-14,20,30H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVXMIZYKAESMBJK-UHFFFAOYSA-N
XLogP3.70
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55909145
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide (CID 58417169) is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is VXMIZYKAESMBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(2)20(16-9-11-18(12-10-16)22(28)27-30)26-23(29)19-13-24-21(25-15(19)3)17-7-5-4-6-8-17/h4-14,20,30H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-4-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 58417169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).