N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide

C20H29F3N6O4 — CID 87264234

IUPACN-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
SMILESCC1CCC([C@H](CN(O)C=O)C(=O)NNc2ncc(N3CCOCC3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H29F3N6O4/c1-13-2-4-14(5-3-13)15(11-29(32)12-30)18(31)26-27-19-24-10-16(17(25-19)20(21,22)23)28-6-8-33-9-7-28/h10,12-15,32H,2-9,11H2,1H3,(H,26,31)(H,24,25,27)/t13?,14?,15-/m0/s1
InChIKeyNFWOBWXOKQLJEK-NRXISQOPSA-N
MW474.48 g/mol
LogP2.07
Rot. Bonds8

About N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide

N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide (PubChem CID 87264234) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
PubChem CID87264234
Molecular FormulaC20H29F3N6O4
Molecular Weight474.48 g/mol
Exact Mass474.22
IUPAC NameN-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
SMILESCC1CCC([C@H](CN(O)C=O)C(=O)NNc2ncc(N3CCOCC3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H29F3N6O4/c1-13-2-4-14(5-3-13)15(11-29(32)12-30)18(31)26-27-19-24-10-16(17(25-19)20(21,22)23)28-6-8-33-9-7-28/h10,12-15,32H,2-9,11H2,1H3,(H,26,31)(H,24,25,27)/t13?,14?,15-/m0/s1
InChIKeyNFWOBWXOKQLJEK-NRXISQOPSA-N
XLogP2.07
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.07
H-Bond Donors ≤ 53
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-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide (CID 87264234) is N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide is CC1CCC([C@H](CN(O)C=O)C(=O)NNc2ncc(N3CCOCC3)c(C(F)(F)F)n2)CC1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?
The InChIKey is NFWOBWXOKQLJEK-NRXISQOPSA-N. The full InChI is InChI=1S/C20H29F3N6O4/c1-13-2-4-14(5-3-13)15(11-29(32)12-30)18(31)26-27-19-24-10-16(17(25-19)20(21,22)23)28-6-8-33-9-7-28/h10,12-15,32H,2-9,11H2,1H3,(H,26,31)(H,24,25,27)/t13?,14?,15-/m0/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide?
N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide has a molecular weight of 474.48 g/mol, XLogP of 2.07, 8 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-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide is sourced from PubChem (CID 87264234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).