N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide

C14H20F3N5O3 — CID 10316627

IUPACN-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(7-22(25)9-23)13(24)21-20-12-6-11(14(15,16)17)18-8-19-12/h6,8-10,25H,2-5,7H2,1H3,(H,21,24)(H,18,19,20)/t10-/m1/s1
InChIKeyBAXYQWVDVWHJJY-SNVBAGLBSA-N
MW363.34 g/mol
LogP1.98
Rot. Bonds10

About N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 10316627) has the molecular formula C14H20F3N5O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
PubChem CID10316627
Molecular FormulaC14H20F3N5O3
Molecular Weight363.34 g/mol
Exact Mass363.15
IUPAC NameN-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(7-22(25)9-23)13(24)21-20-12-6-11(14(15,16)17)18-8-19-12/h6,8-10,25H,2-5,7H2,1H3,(H,21,24)(H,18,19,20)/t10-/m1/s1
InChIKeyBAXYQWVDVWHJJY-SNVBAGLBSA-N
XLogP1.98
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide (CID 10316627) is N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ncn1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is BAXYQWVDVWHJJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(7-22(25)9-23)13(24)21-20-12-6-11(14(15,16)17)18-8-19-12/h6,8-10,25H,2-5,7H2,1H3,(H,21,24)(H,18,19,20)/t10-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 363.34 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[6-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 10316627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).