N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C15H19F3N6O3 — CID 10249653

IUPACN-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C#N)c(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N6O3/c1-2-3-4-5-10(8-24(27)9-25)13(26)22-23-14-20-7-11(6-19)12(21-14)15(16,17)18/h7,9-10,27H,2-5,8H2,1H3,(H,22,26)(H,20,21,23)/t10-/m1/s1
InChIKeyUEHCAOSBCIVDFW-SNVBAGLBSA-N
MW388.35 g/mol
LogP1.85
Rot. Bonds10

About N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 10249653) has the molecular formula C15H19F3N6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID10249653
Molecular FormulaC15H19F3N6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC NameN-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C#N)c(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N6O3/c1-2-3-4-5-10(8-24(27)9-25)13(26)22-23-14-20-7-11(6-19)12(21-14)15(16,17)18/h7,9-10,27H,2-5,8H2,1H3,(H,22,26)(H,20,21,23)/t10-/m1/s1
InChIKeyUEHCAOSBCIVDFW-SNVBAGLBSA-N
XLogP1.85
TPSA131.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 51.85
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-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 10249653) is N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C#N)c(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is UEHCAOSBCIVDFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F3N6O3/c1-2-3-4-5-10(8-24(27)9-25)13(26)22-23-14-20-7-11(6-19)12(21-14)15(16,17)18/h7,9-10,27H,2-5,8H2,1H3,(H,22,26)(H,20,21,23)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 388.35 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 10249653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).