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

C25H28N6O3 — CID 155469284

IUPACN-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccccc1C1(Nc2ncc(C(=O)NO)cn2)CCN(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C25H28N6O3/c1-18-8-6-7-11-21(18)25(28-23-26-16-19(17-27-23)22(32)29-34)12-14-31(15-13-25)24(33)30(2)20-9-4-3-5-10-20/h3-11,16-17,34H,12-15H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyDQZOSPASLAHQTA-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.56
Rot. Bonds5

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

N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 155469284) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID155469284
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccccc1C1(Nc2ncc(C(=O)NO)cn2)CCN(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C25H28N6O3/c1-18-8-6-7-11-21(18)25(28-23-26-16-19(17-27-23)22(32)29-34)12-14-31(15-13-25)24(33)30(2)20-9-4-3-5-10-20/h3-11,16-17,34H,12-15H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyDQZOSPASLAHQTA-UHFFFAOYSA-N
XLogP3.56
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.56
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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Related Compounds

N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005584
N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469324
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
2-[[1-[2-(3a,7a-dihydro-3H-indol-2-yl)acetyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 123908891
ethyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-propan-2-ylpiperidine-1-carboxylate
CID 118005836
ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954
N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
CID 169107036
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50965222

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 155469284) is N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide is Cc1ccccc1C1(Nc2ncc(C(=O)NO)cn2)CCN(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is DQZOSPASLAHQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-18-8-6-7-11-21(18)25(28-23-26-16-19(17-27-23)22(32)29-34)12-14-31(15-13-25)24(33)30(2)20-9-4-3-5-10-20/h3-11,16-17,34H,12-15H2,1-2H3,(H,29,32)(H,26,27,28).
What are the key properties of N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155469284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).