(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide

C20H20N4O2 — CID 99696534

IUPAC(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnccn2)cc1
InChIInChI=1S/C20H20N4O2/c21-12-17(20(26)24-16-4-2-1-3-5-16)19(25)15-8-6-14(7-9-15)18-13-22-10-11-23-18/h6-11,13,16-17H,1-5H2,(H,24,26)/t17-/m1/s1
InChIKeyRNEUBQPELKRYHQ-QGZVFWFLSA-N
MW348.41 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide

(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide (PubChem CID 99696534) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide
PubChem CID99696534
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnccn2)cc1
InChIInChI=1S/C20H20N4O2/c21-12-17(20(26)24-16-4-2-1-3-5-16)19(25)15-8-6-14(7-9-15)18-13-22-10-11-23-18/h6-11,13,16-17H,1-5H2,(H,24,26)/t17-/m1/s1
InChIKeyRNEUBQPELKRYHQ-QGZVFWFLSA-N
XLogP2.91
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 98450066
(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
CID 98200987
N-cyclopentyl-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45370232
(2R)-2-cyano-N-cyclohexyl-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-3-oxopropanamide
CID 98450060
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide (CID 99696534) is (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide is N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnccn2)cc1.
What is the InChIKey of (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide?
The InChIKey is RNEUBQPELKRYHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-12-17(20(26)24-16-4-2-1-3-5-16)19(25)15-8-6-14(7-9-15)18-13-22-10-11-23-18/h6-11,13,16-17H,1-5H2,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide?
(2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-cyclohexyl-3-oxo-3-(4-pyrazin-2-ylphenyl)propanamide is sourced from PubChem (CID 99696534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).