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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Related Compounds

N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10428777
N-[(2R)-2-[[[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 9977749
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 9981688
N-[(2R)-2-[[[5-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 9982382
N-[(2R)-4-cyclopropyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide
CID 9998671
N-hydroxy-N-[(2R)-2-[[[5-piperazin-1-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10003742
N-[(2R)-2-(cyclohexylmethyl)-3-oxo-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]-N-hydroxyformamide
CID 10023221
N-[(2R)-2-[[[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]-6-methylheptyl]-N-hydroxyformamide
CID 10028493
N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide
CID 10045116
N-hydroxy-N-[(2R)-2-[[[5-[2-hydroxyethyl(methyl)amino]-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10071685
N-hydroxy-N-[(2R)-5-methyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]formamide
CID 10090089
N-[(2R)-2-[[[5-cyano-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10249653

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).