2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C17H25F3N6O4 — CID 10365609

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N6O4/c1-4-5-6-7-11(9-26(30)10-27)14(28)23-24-16-21-8-12(15(29)25(2)3)13(22-16)17(18,19)20/h8,10-11,30H,4-7,9H2,1-3H3,(H,23,28)(H,21,22,24)/t11-/m1/s1
InChIKeyJLZDPACSEXHVMY-LLVKDONJSA-N
MW434.42 g/mol
LogP1.68
Rot. Bonds11

About 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10365609) has the molecular formula C17H25F3N6O4 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10365609
Molecular FormulaC17H25F3N6O4
Molecular Weight434.42 g/mol
Exact Mass434.19
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N6O4/c1-4-5-6-7-11(9-26(30)10-27)14(28)23-24-16-21-8-12(15(29)25(2)3)13(22-16)17(18,19)20/h8,10-11,30H,4-7,9H2,1-3H3,(H,23,28)(H,21,22,24)/t11-/m1/s1
InChIKeyJLZDPACSEXHVMY-LLVKDONJSA-N
XLogP1.68
TPSA127.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.68
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 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10365609) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is JLZDPACSEXHVMY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H25F3N6O4/c1-4-5-6-7-11(9-26(30)10-27)14(28)23-24-16-21-8-12(15(29)25(2)3)13(22-16)17(18,19)20/h8,10-11,30H,4-7,9H2,1-3H3,(H,23,28)(H,21,22,24)/t11-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 1.68, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10365609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).