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

C21H26F3N7O4 — CID 10480985

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)c2ccccn2)c(C(F)(F)F)n1
InChIInChI=1S/C21H26F3N7O4/c1-3-4-5-8-14(12-31(35)13-32)18(33)28-29-20-26-11-15(17(27-20)21(22,23)24)19(34)30(2)16-9-6-7-10-25-16/h6-7,9-11,13-14,35H,3-5,8,12H2,1-2H3,(H,28,33)(H,26,27,29)/t14-/m1/s1
InChIKeyWVGYCGSNZADSCO-CQSZACIVSA-N
MW497.48 g/mol
LogP2.65
Rot. Bonds12

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

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10480985) has the molecular formula C21H26F3N7O4 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10480985
Molecular FormulaC21H26F3N7O4
Molecular Weight497.48 g/mol
Exact Mass497.20
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)c2ccccn2)c(C(F)(F)F)n1
InChIInChI=1S/C21H26F3N7O4/c1-3-4-5-8-14(12-31(35)13-32)18(33)28-29-20-26-11-15(17(27-20)21(22,23)24)19(34)30(2)16-9-6-7-10-25-16/h6-7,9-11,13-14,35H,3-5,8,12H2,1-2H3,(H,28,33)(H,26,27,29)/t14-/m1/s1
InChIKeyWVGYCGSNZADSCO-CQSZACIVSA-N
XLogP2.65
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
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-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10480985) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N(C)c2ccccn2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is WVGYCGSNZADSCO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26F3N7O4/c1-3-4-5-8-14(12-31(35)13-32)18(33)28-29-20-26-11-15(17(27-20)21(22,23)24)19(34)30(2)16-9-6-7-10-25-16/h6-7,9-11,13-14,35H,3-5,8,12H2,1-2H3,(H,28,33)(H,26,27,29)/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 2.65, 12 rotatable bonds, 3 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-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10480985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).