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

C24H26N6O3 — CID 118005744

IUPACN-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCN(C(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H26N6O3/c1-29(20-10-6-3-7-11-20)23(32)30-14-12-24(13-15-30,19-8-4-2-5-9-19)27-22-25-16-18(17-26-22)21(31)28-33/h2-11,16-17,33H,12-15H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyZXFHCTJLWIBNPQ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.26
Rot. Bonds5

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

N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005744) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005744
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCN(C(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H26N6O3/c1-29(20-10-6-3-7-11-20)23(32)30-14-12-24(13-15-30,19-8-4-2-5-9-19)27-22-25-16-18(17-26-22)21(31)28-33/h2-11,16-17,33H,12-15H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyZXFHCTJLWIBNPQ-UHFFFAOYSA-N
XLogP3.26
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.26
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005744) is N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is CN(C(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is ZXFHCTJLWIBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-29(20-10-6-3-7-11-20)23(32)30-14-12-24(13-15-30,19-8-4-2-5-9-19)27-22-25-16-18(17-26-22)21(31)28-33/h2-11,16-17,33H,12-15H2,1H3,(H,28,31)(H,25,26,27).
What are the key properties of N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).