N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide

C19H20N4O3 — CID 91626184

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)C(O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3/c20-12-16-19(22-11-10-21-16)26-15-8-6-14(7-9-15)23-18(25)17(24)13-4-2-1-3-5-13/h1-5,10-11,14-15,17,24H,6-9H2,(H,23,25)
InChIKeyNVTSLKYACBSQAP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.89
Rot. Bonds5

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide (PubChem CID 91626184) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
PubChem CID91626184
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)C(O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O3/c20-12-16-19(22-11-10-21-16)26-15-8-6-14(7-9-15)23-18(25)17(24)13-4-2-1-3-5-13/h1-5,10-11,14-15,17,24H,6-9H2,(H,23,25)
InChIKeyNVTSLKYACBSQAP-UHFFFAOYSA-N
XLogP1.89
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide (CID 91626184) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide is N#Cc1nccnc1OC1CCC(NC(=O)C(O)c2ccccc2)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is NVTSLKYACBSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-12-16-19(22-11-10-21-16)26-15-8-6-14(7-9-15)23-18(25)17(24)13-4-2-1-3-5-13/h1-5,10-11,14-15,17,24H,6-9H2,(H,23,25).
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 352.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 91626184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).