N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide

C20H29F3N6O4 — CID 87264199

IUPACN-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(F)(F)F)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C20H29F3N6O4/c1-2-3-5-8-14(12-29(33)13-30)17(31)26-27-19-24-11-15(20(21,22)23)16(25-19)18(32)28-9-6-4-7-10-28/h11,13-14,33H,2-10,12H2,1H3,(H,26,31)(H,24,25,27)/t14-/m1/s1
InChIKeyJZTQEIQEEGJKMM-CQSZACIVSA-N
MW474.48 g/mol
LogP2.61
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 87264199) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
PubChem CID87264199
Molecular FormulaC20H29F3N6O4
Molecular Weight474.48 g/mol
Exact Mass474.22
IUPAC NameN-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(F)(F)F)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C20H29F3N6O4/c1-2-3-5-8-14(12-29(33)13-30)17(31)26-27-19-24-11-15(20(21,22)23)16(25-19)18(32)28-9-6-4-7-10-28/h11,13-14,33H,2-10,12H2,1H3,(H,26,31)(H,24,25,27)/t14-/m1/s1
InChIKeyJZTQEIQEEGJKMM-CQSZACIVSA-N
XLogP2.61
TPSA127.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (CID 87264199) is N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(F)(F)F)c(C(=O)N2CCCCC2)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is JZTQEIQEEGJKMM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29F3N6O4/c1-2-3-5-8-14(12-29(33)13-30)17(31)26-27-19-24-11-15(20(21,22)23)16(25-19)18(32)28-9-6-4-7-10-28/h11,13-14,33H,2-10,12H2,1H3,(H,26,31)(H,24,25,27)/t14-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 474.48 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).