N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C18H27F3N6O4 — CID 10321422

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCN(CCO)c1cc(C(F)(F)F)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
InChIInChI=1S/C18H27F3N6O4/c1-26(6-7-28)15-9-14(18(19,20)21)22-17(23-15)25-24-16(30)13(10-27(31)11-29)8-12-4-2-3-5-12/h9,11-13,28,31H,2-8,10H2,1H3,(H,24,30)(H,22,23,25)/t13-/m1/s1
InChIKeyXLGGVXQFZPZGAW-CYBMUJFWSA-N
MW448.45 g/mol
LogP1.41
Rot. Bonds11

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 10321422) has the molecular formula C18H27F3N6O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID10321422
Molecular FormulaC18H27F3N6O4
Molecular Weight448.45 g/mol
Exact Mass448.20
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCN(CCO)c1cc(C(F)(F)F)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
InChIInChI=1S/C18H27F3N6O4/c1-26(6-7-28)15-9-14(18(19,20)21)22-17(23-15)25-24-16(30)13(10-27(31)11-29)8-12-4-2-3-5-12/h9,11-13,28,31H,2-8,10H2,1H3,(H,24,30)(H,22,23,25)/t13-/m1/s1
InChIKeyXLGGVXQFZPZGAW-CYBMUJFWSA-N
XLogP1.41
TPSA130.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 10321422) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is CN(CCO)c1cc(C(F)(F)F)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is XLGGVXQFZPZGAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27F3N6O4/c1-26(6-7-28)15-9-14(18(19,20)21)22-17(23-15)25-24-16(30)13(10-27(31)11-29)8-12-4-2-3-5-12/h9,11-13,28,31H,2-8,10H2,1H3,(H,24,30)(H,22,23,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 448.45 g/mol, XLogP of 1.41, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[4-[2-hydroxyethyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 10321422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).