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

C18H27F3N6O4 — CID 10366389

IUPACN-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C18H27F3N6O4/c1-2-3-4-5-13(11-27(30)12-28)16(29)24-25-17-22-10-14(15(23-17)18(19,20)21)26-6-8-31-9-7-26/h10,12-13,30H,2-9,11H2,1H3,(H,24,29)(H,22,23,25)/t13-/m1/s1
InChIKeyDTDOPSBKZNYAOW-CYBMUJFWSA-N
MW448.45 g/mol
LogP1.82
Rot. Bonds11

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

N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 10366389) has the molecular formula C18H27F3N6O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
PubChem CID10366389
Molecular FormulaC18H27F3N6O4
Molecular Weight448.45 g/mol
Exact Mass448.20
IUPAC NameN-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C18H27F3N6O4/c1-2-3-4-5-13(11-27(30)12-28)16(29)24-25-17-22-10-14(15(23-17)18(19,20)21)26-6-8-31-9-7-26/h10,12-13,30H,2-9,11H2,1H3,(H,24,29)(H,22,23,25)/t13-/m1/s1
InChIKeyDTDOPSBKZNYAOW-CYBMUJFWSA-N
XLogP1.82
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (CID 10366389) is N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(N2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is DTDOPSBKZNYAOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27F3N6O4/c1-2-3-4-5-13(11-27(30)12-28)16(29)24-25-17-22-10-14(15(23-17)18(19,20)21)26-6-8-31-9-7-26/h10,12-13,30H,2-9,11H2,1H3,(H,24,29)(H,22,23,25)/t13-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 448.45 g/mol, XLogP of 1.82, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 10366389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).