N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide

C19H27F3N6O5 — CID 10254393

IUPACN-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N6O5/c1-2-3-4-5-13(11-28(32)12-29)16(30)25-26-18-23-10-14(15(24-18)19(20,21)22)17(31)27-6-8-33-9-7-27/h10,12-13,32H,2-9,11H2,1H3,(H,25,30)(H,23,24,26)/t13-/m1/s1
InChIKeyAJQXMDPVSSEMTB-CYBMUJFWSA-N
MW476.46 g/mol
LogP1.46
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 10254393) has the molecular formula C19H27F3N6O5 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
PubChem CID10254393
Molecular FormulaC19H27F3N6O5
Molecular Weight476.46 g/mol
Exact Mass476.20
IUPAC NameN-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N6O5/c1-2-3-4-5-13(11-28(32)12-29)16(30)25-26-18-23-10-14(15(24-18)19(20,21)22)17(31)27-6-8-33-9-7-27/h10,12-13,32H,2-9,11H2,1H3,(H,25,30)(H,23,24,26)/t13-/m1/s1
InChIKeyAJQXMDPVSSEMTB-CYBMUJFWSA-N
XLogP1.46
TPSA136.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 51.46
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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Related Compounds

N-[(2R)-2-[[[5-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 9982382
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 10001430
N-hydroxy-N-[(2R)-2-[[[5-piperazin-1-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10003742
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10051216
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10051290
N-hydroxy-N-[(2R)-2-[[[5-[2-hydroxyethyl(methyl)amino]-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10071685
N-hydroxy-N-[(2R)-2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10322662
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10365609
N-hydroxy-N-[(2R)-2-[[[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10366389
methyl 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 10387448
N-hydroxy-N-[(2R)-2-[[[5-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10411972
N-tert-butyl-2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10412007

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide (CID 10254393) is N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is AJQXMDPVSSEMTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27F3N6O5/c1-2-3-4-5-13(11-28(32)12-29)16(30)25-26-18-23-10-14(15(24-18)19(20,21)22)17(31)27-6-8-33-9-7-27/h10,12-13,32H,2-9,11H2,1H3,(H,25,30)(H,23,24,26)/t13-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 476.46 g/mol, XLogP of 1.46, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 10254393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).