N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C15H22F3N5O3 — CID 87263996

IUPACN-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H22F3N5O3/c1-2-3-4-5-10(8-23(26)9-24)14(25)22-21-13-11(19)6-7-12(20-13)15(16,17)18/h6-7,9-10,26H,2-5,8,19H2,1H3,(H,20,21)(H,22,25)/t10-/m1/s1
InChIKeyIGJBEMURCQHDIE-SNVBAGLBSA-N
MW377.37 g/mol
LogP2.17
Rot. Bonds10

About N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263996) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263996
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC NameN-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H22F3N5O3/c1-2-3-4-5-10(8-23(26)9-24)14(25)22-21-13-11(19)6-7-12(20-13)15(16,17)18/h6-7,9-10,26H,2-5,8,19H2,1H3,(H,20,21)(H,22,25)/t10-/m1/s1
InChIKeyIGJBEMURCQHDIE-SNVBAGLBSA-N
XLogP2.17
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.17
H-Bond Donors ≤ 54
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-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87263996) is N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ccc1N.
What is the InChIKey of N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is IGJBEMURCQHDIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-2-3-4-5-10(8-23(26)9-24)14(25)22-21-13-11(19)6-7-12(20-13)15(16,17)18/h6-7,9-10,26H,2-5,8,19H2,1H3,(H,20,21)(H,22,25)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 377.37 g/mol, XLogP of 2.17, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[3-amino-6-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).