N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

C24H26N6O4 — CID 118005782

IUPACN-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6O4/c1-34-20-9-7-19(8-10-20)27-23(32)30-13-11-24(12-14-30,18-5-3-2-4-6-18)28-22-25-15-17(16-26-22)21(31)29-33/h2-10,15-16,33H,11-14H2,1H3,(H,27,32)(H,29,31)(H,25,26,28)
InChIKeyLFKIEMRCUDLUJN-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.24
Rot. Bonds6

About N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005782) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005782
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6O4/c1-34-20-9-7-19(8-10-20)27-23(32)30-13-11-24(12-14-30,18-5-3-2-4-6-18)28-22-25-15-17(16-26-22)21(31)29-33/h2-10,15-16,33H,11-14H2,1H3,(H,27,32)(H,29,31)(H,25,26,28)
InChIKeyLFKIEMRCUDLUJN-UHFFFAOYSA-N
XLogP3.24
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005782) is N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is COc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1.
What is the InChIKey of N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is LFKIEMRCUDLUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-34-20-9-7-19(8-10-20)27-23(32)30-13-11-24(12-14-30,18-5-3-2-4-6-18)28-22-25-15-17(16-26-22)21(31)29-33/h2-10,15-16,33H,11-14H2,1H3,(H,27,32)(H,29,31)(H,25,26,28).
What are the key properties of N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-[(4-methoxyphenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).