2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C20H30F3N7O4 — CID 10051216

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C20H30F3N7O4/c1-2-3-5-8-14(12-30(34)13-31)17(32)26-27-19-24-11-15(16(25-19)20(21,22)23)18(33)28-29-9-6-4-7-10-29/h11,13-14,34H,2-10,12H2,1H3,(H,26,32)(H,28,33)(H,24,25,27)/t14-/m1/s1
InChIKeyDYACLLHYGWWLTQ-CQSZACIVSA-N
MW489.50 g/mol
LogP2.11
Rot. Bonds12

About 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10051216) has the molecular formula C20H30F3N7O4 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10051216
Molecular FormulaC20H30F3N7O4
Molecular Weight489.50 g/mol
Exact Mass489.23
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C20H30F3N7O4/c1-2-3-5-8-14(12-30(34)13-31)17(32)26-27-19-24-11-15(16(25-19)20(21,22)23)18(33)28-29-9-6-4-7-10-29/h11,13-14,34H,2-10,12H2,1H3,(H,26,32)(H,28,33)(H,24,25,27)/t14-/m1/s1
InChIKeyDYACLLHYGWWLTQ-CQSZACIVSA-N
XLogP2.11
TPSA139.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10051216) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)NN2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is DYACLLHYGWWLTQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H30F3N7O4/c1-2-3-5-8-14(12-30(34)13-31)17(32)26-27-19-24-11-15(16(25-19)20(21,22)23)18(33)28-29-9-6-4-7-10-29/h11,13-14,34H,2-10,12H2,1H3,(H,26,32)(H,28,33)(H,24,25,27)/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 2.11, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10051216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).