3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide

C20H23FN4O2 — CID 156753031

IUPAC3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cnc(N)cn1
InChIInChI=1S/C20H23FN4O2/c1-12-6-7-13(20(27)25-16-4-2-3-5-18(16)26)8-14(12)9-15(21)17-10-24-19(22)11-23-17/h6-11,16,18,26H,2-5H2,1H3,(H2,22,24)(H,25,27)/b15-9-/t16-,18-/m0/s1
InChIKeyFSLRMEDVKBOYQC-GFNBKLKVSA-N
MW370.43 g/mol
LogP2.87
Rot. Bonds4

About 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide

3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide (PubChem CID 156753031) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
PubChem CID156753031
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cnc(N)cn1
InChIInChI=1S/C20H23FN4O2/c1-12-6-7-13(20(27)25-16-4-2-3-5-18(16)26)8-14(12)9-15(21)17-10-24-19(22)11-23-17/h6-11,16,18,26H,2-5H2,1H3,(H2,22,24)(H,25,27)/b15-9-/t16-,18-/m0/s1
InChIKeyFSLRMEDVKBOYQC-GFNBKLKVSA-N
XLogP2.87
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide
CID 156753141
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
4-fluoro-3-[(Z)-2-fluoro-2-[5-(oxan-4-ylamino)-3-pyridinyl]ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 156753137

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The IUPAC name of 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide (CID 156753031) is 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The canonical SMILES for 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cnc(N)cn1.
What is the InChIKey of 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The InChIKey is FSLRMEDVKBOYQC-GFNBKLKVSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-6-7-13(20(27)25-16-4-2-3-5-18(16)26)8-14(12)9-15(21)17-10-24-19(22)11-23-17/h6-11,16,18,26H,2-5H2,1H3,(H2,22,24)(H,25,27)/b15-9-/t16-,18-/m0/s1.
What are the key properties of 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 156753031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).