2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C23H22F2N6O3 — CID 118005922

IUPAC2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1
InChIInChI=1S/C23H22F2N6O3/c24-17-7-4-8-18(25)19(17)28-22(33)31-11-9-23(10-12-31,16-5-2-1-3-6-16)29-21-26-13-15(14-27-21)20(32)30-34/h1-8,13-14,34H,9-12H2,(H,28,33)(H,30,32)(H,26,27,29)
InChIKeyIJOCXFUZXSAWMI-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.51
Rot. Bonds5

About 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 118005922) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID118005922
Molecular FormulaC23H22F2N6O3
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1
InChIInChI=1S/C23H22F2N6O3/c24-17-7-4-8-18(25)19(17)28-22(33)31-11-9-23(10-12-31,16-5-2-1-3-6-16)29-21-26-13-15(14-27-21)20(32)30-34/h1-8,13-14,34H,9-12H2,(H,28,33)(H,30,32)(H,26,27,29)
InChIKeyIJOCXFUZXSAWMI-UHFFFAOYSA-N
XLogP3.51
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 118005922) is 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1.
What is the InChIKey of 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is IJOCXFUZXSAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c24-17-7-4-8-18(25)19(17)28-22(33)31-11-9-23(10-12-31,16-5-2-1-3-6-16)29-21-26-13-15(14-27-21)20(32)30-34/h1-8,13-14,34H,9-12H2,(H,28,33)(H,30,32)(H,26,27,29).
What are the key properties of 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 118005922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).