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

C19H28F3N7O5 — CID 10051290

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H28F3N7O5/c1-2-3-4-5-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-6-8-34-9-7-28/h10,12-13,33H,2-9,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1
InChIKeyHKZWMAVXNBPQJW-CYBMUJFWSA-N
MW491.47 g/mol
LogP0.96
Rot. Bonds12

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

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10051290) has the molecular formula C19H28F3N7O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10051290
Molecular FormulaC19H28F3N7O5
Molecular Weight491.47 g/mol
Exact Mass491.21
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H28F3N7O5/c1-2-3-4-5-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-6-8-34-9-7-28/h10,12-13,33H,2-9,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1
InChIKeyHKZWMAVXNBPQJW-CYBMUJFWSA-N
XLogP0.96
TPSA149.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10051290) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is HKZWMAVXNBPQJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28F3N7O5/c1-2-3-4-5-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-6-8-34-9-7-28/h10,12-13,33H,2-9,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 0.96, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10051290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).